3-(azepan-1-yl)propan-1-amine

C9H20N2 — CID 2764395

IUPAC3-(azepan-1-yl)propan-1-amine
SMILESNCCCN1CCCCCC1
InChIInChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2
InChIKeyFXTRRLIESPAUHT-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds3

About 3-(azepan-1-yl)propan-1-amine

3-(azepan-1-yl)propan-1-amine (PubChem CID 2764395) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(azepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)propan-1-amine
PubChem CID2764395
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-(azepan-1-yl)propan-1-amine
SMILESNCCCN1CCCCCC1
InChIInChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2
InChIKeyFXTRRLIESPAUHT-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)propan-1-amine?
The IUPAC name of 3-(azepan-1-yl)propan-1-amine (CID 2764395) is 3-(azepan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)propan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)propan-1-amine is NCCCN1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)propan-1-amine?
The InChIKey is FXTRRLIESPAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2.
What are the key properties of 3-(azepan-1-yl)propan-1-amine?
3-(azepan-1-yl)propan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)propan-1-amine is sourced from PubChem (CID 2764395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).