3-[3-(azepan-1-yl)phenyl]propan-1-amine

C15H24N2 — CID 28806993

IUPAC3-[3-(azepan-1-yl)phenyl]propan-1-amine
SMILESNCCCc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C15H24N2/c16-10-6-8-14-7-5-9-15(13-14)17-11-3-1-2-4-12-17/h5,7,9,13H,1-4,6,8,10-12,16H2
InChIKeyURJLOPLQJWJGGS-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.96
Rot. Bonds4

About 3-[3-(azepan-1-yl)phenyl]propan-1-amine

3-[3-(azepan-1-yl)phenyl]propan-1-amine (PubChem CID 28806993) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[3-(azepan-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(azepan-1-yl)phenyl]propan-1-amine
PubChem CID28806993
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[3-(azepan-1-yl)phenyl]propan-1-amine
SMILESNCCCc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C15H24N2/c16-10-6-8-14-7-5-9-15(13-14)17-11-3-1-2-4-12-17/h5,7,9,13H,1-4,6,8,10-12,16H2
InChIKeyURJLOPLQJWJGGS-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(azepan-1-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(azepan-1-yl)phenyl]propan-1-amine (CID 28806993) is 3-[3-(azepan-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(azepan-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(azepan-1-yl)phenyl]propan-1-amine is NCCCc1cccc(N2CCCCCC2)c1.
What is the InChIKey of 3-[3-(azepan-1-yl)phenyl]propan-1-amine?
The InChIKey is URJLOPLQJWJGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-10-6-8-14-7-5-9-15(13-14)17-11-3-1-2-4-12-17/h5,7,9,13H,1-4,6,8,10-12,16H2.
What are the key properties of 3-[3-(azepan-1-yl)phenyl]propan-1-amine?
3-[3-(azepan-1-yl)phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(azepan-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 28806993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).