chempirical

2-[(4-Aminopentyl)ethylamino]ethanol

C9H22N2OCAS 69559-11-1174.29 g/mol

Open in Covalent MOL file
NHONH2
AlcoholPrimary amineTertiary amine

Properties

Molecular formula
C9H22N2O
Molar mass
174.29 g/mol
Exact mass
174.1732 Da
Boiling point
93 °C (at 0.6 Torr)
logP
0.43Crippen estimate
Polar surface area
49.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7

Identifiers

CAS number
69559-11-1
SMILES
CCN(CCO)CCCC(C)N
InChIKey
XUVXSSOPXQRCGL-UHFFFAOYSA-N
InChI
InChI=1S/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Ethanol, 2-[(4-aminopentyl)ethylamino]-
  • (±)-2-[(4-Aminopentyl)ethylamino]ethanol
  • 5-[N-Ethyl-N-(2-hydroxyethyl)amino]-2-aminopentane
  • N-Ethyl-N-(2-hydroxyethyl)-4-aminopentylamine
  • 2-[(4-Aminopentyl)(ethyl)amino]ethan-1-ol

Work with 2-[(4-Aminopentyl)ethylamino]ethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Diethyl-1,4-pentanediamine140-80-773 % similar N-Ethyldiethanolamine139-87-755 % similar 5-[Ethyl(2-hydroxyethyl)amino]-2-pentanone74509-79-849 % similar (3R)-3-Amino-1-butanol61477-40-548 % similar 3-(Diethylamino)-1-propanol622-93-547 % similar 2-(Diethylamino)ethanol hydrochloride14426-20-145 % similar 2-Aminoheptane123-82-041 % similar 1-Ethyl-4-piperidinamine50534-45-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butoxybis(dimethylamino)methane5815-08-7

Elsewhere

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