chempirical

4-Heptanamine

C7H17NCAS 16751-59-0115.22 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C7H17N
Molar mass
115.22 g/mol
Exact mass
115.1361 Da
Density
0.771 g/mL (at 13 °C)
Boiling point
139.5 °C
logP
1.91Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
16751-59-0
SMILES
CCCC(N)CCC
InChIKey
CLJMMQGDJNYDER-UHFFFAOYSA-N
InChI
InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Butylamine, 1-propyl-
  • 1-Propylbutylamine
  • 4-Heptylamine
  • 4-Aminoheptane
  • 1-Propylbutanamine
  • (Heptan-4-yl)amine

Work with 4-Heptanamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-1,4-Diaminocyclohexane2615-25-053 % similar 1,4-Diaminocyclohexane3114-70-353 % similar Cyclopropylamine765-30-053 % similar 2-Pentanamine63493-28-750 % similar Cyclopentylamine1003-03-847 % similar trans-4-Methylcyclohexylamine2523-55-945 % similar 4-Methylcyclohexylamine6321-23-945 % similar Cyclohexylamine108-91-844 % similar

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

Same formula

1,3-Dimethylamylamine105-41-9 Heptylamine111-68-2 2-Aminoheptane123-82-0 1,4-Dimethylpentylamine28292-43-5

Elsewhere

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