1-(azepan-1-yl)propan-2-amine

C9H20N2 — CID 16643484

IUPAC1-(azepan-1-yl)propan-2-amine
SMILESCC(N)CN1CCCCCC1
InChIInChI=1S/C9H20N2/c1-9(10)8-11-6-4-2-3-5-7-11/h9H,2-8,10H2,1H3
InChIKeyOBBYUKKVCZUXOY-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds2

About 1-(azepan-1-yl)propan-2-amine

1-(azepan-1-yl)propan-2-amine (PubChem CID 16643484) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(azepan-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(azepan-1-yl)propan-2-amine
PubChem CID16643484
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(azepan-1-yl)propan-2-amine
SMILESCC(N)CN1CCCCCC1
InChIInChI=1S/C9H20N2/c1-9(10)8-11-6-4-2-3-5-7-11/h9H,2-8,10H2,1H3
InChIKeyOBBYUKKVCZUXOY-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-(azepan-1-yl)propan-2-amine?
The IUPAC name of 1-(azepan-1-yl)propan-2-amine (CID 16643484) is 1-(azepan-1-yl)propan-2-amine.
What is the SMILES notation for 1-(azepan-1-yl)propan-2-amine?
The canonical SMILES for 1-(azepan-1-yl)propan-2-amine is CC(N)CN1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)propan-2-amine?
The InChIKey is OBBYUKKVCZUXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(10)8-11-6-4-2-3-5-7-11/h9H,2-8,10H2,1H3.
What are the key properties of 1-(azepan-1-yl)propan-2-amine?
1-(azepan-1-yl)propan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)propan-2-amine is sourced from PubChem (CID 16643484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).