3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine

C18H38N2 — CID 104689447

IUPAC3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)N1CCCCCC1CC
InChIInChI=1S/C18H38N2/c1-5-12-17(19-14-6-2)18(8-4)20-15-11-9-10-13-16(20)7-3/h16-19H,5-15H2,1-4H3
InChIKeyHKLFOFDDZHPWJM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds9

About 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine

3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine (PubChem CID 104689447) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine
PubChem CID104689447
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)N1CCCCCC1CC
InChIInChI=1S/C18H38N2/c1-5-12-17(19-14-6-2)18(8-4)20-15-11-9-10-13-16(20)7-3/h16-19H,5-15H2,1-4H3
InChIKeyHKLFOFDDZHPWJM-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine?
The IUPAC name of 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine (CID 104689447) is 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine.
What is the SMILES notation for 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine?
The canonical SMILES for 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine is CCCNC(CCC)C(CC)N1CCCCCC1CC.
What is the InChIKey of 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine?
The InChIKey is HKLFOFDDZHPWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-12-17(19-14-6-2)18(8-4)20-15-11-9-10-13-16(20)7-3/h16-19H,5-15H2,1-4H3.
What are the key properties of 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine?
3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine has a molecular weight of 282.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylazepan-1-yl)-N-propylheptan-4-amine is sourced from PubChem (CID 104689447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).