2-(azepan-1-yl)pentan-3-amine

C11H24N2 — CID 16789073

IUPAC2-(azepan-1-yl)pentan-3-amine
SMILESCCC(N)C(C)N1CCCCCC1
InChIInChI=1S/C11H24N2/c1-3-11(12)10(2)13-8-6-4-5-7-9-13/h10-11H,3-9,12H2,1-2H3
InChIKeyBOBDRKQZEAQLFW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.99
Rot. Bonds3

About 2-(azepan-1-yl)pentan-3-amine

2-(azepan-1-yl)pentan-3-amine (PubChem CID 16789073) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-(azepan-1-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)pentan-3-amine
PubChem CID16789073
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-(azepan-1-yl)pentan-3-amine
SMILESCCC(N)C(C)N1CCCCCC1
InChIInChI=1S/C11H24N2/c1-3-11(12)10(2)13-8-6-4-5-7-9-13/h10-11H,3-9,12H2,1-2H3
InChIKeyBOBDRKQZEAQLFW-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)pentan-3-amine?
The IUPAC name of 2-(azepan-1-yl)pentan-3-amine (CID 16789073) is 2-(azepan-1-yl)pentan-3-amine.
What is the SMILES notation for 2-(azepan-1-yl)pentan-3-amine?
The canonical SMILES for 2-(azepan-1-yl)pentan-3-amine is CCC(N)C(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)pentan-3-amine?
The InChIKey is BOBDRKQZEAQLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-11(12)10(2)13-8-6-4-5-7-9-13/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)pentan-3-amine?
2-(azepan-1-yl)pentan-3-amine has a molecular weight of 184.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)pentan-3-amine is sourced from PubChem (CID 16789073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).