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

C10H22N2 — CID 23005514

IUPAC3-(azepan-1-yl)butan-1-amine
SMILESCC(CCN)N1CCCCCC1
InChIInChI=1S/C10H22N2/c1-10(6-7-11)12-8-4-2-3-5-9-12/h10H,2-9,11H2,1H3
InChIKeyCILBNNCZOYVSLS-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds3

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

3-(azepan-1-yl)butan-1-amine (PubChem CID 23005514) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-(azepan-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)butan-1-amine
PubChem CID23005514
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-(azepan-1-yl)butan-1-amine
SMILESCC(CCN)N1CCCCCC1
InChIInChI=1S/C10H22N2/c1-10(6-7-11)12-8-4-2-3-5-9-12/h10H,2-9,11H2,1H3
InChIKeyCILBNNCZOYVSLS-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
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)butan-1-amine?
The IUPAC name of 3-(azepan-1-yl)butan-1-amine (CID 23005514) is 3-(azepan-1-yl)butan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)butan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)butan-1-amine is CC(CCN)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)butan-1-amine?
The InChIKey is CILBNNCZOYVSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(6-7-11)12-8-4-2-3-5-9-12/h10H,2-9,11H2,1H3.
What are the key properties of 3-(azepan-1-yl)butan-1-amine?
3-(azepan-1-yl)butan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 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)butan-1-amine is sourced from PubChem (CID 23005514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).