N-(3-propan-2-ylphenyl)azepan-4-amine

C15H24N2 — CID 113361401

IUPACN-(3-propan-2-ylphenyl)azepan-4-amine
SMILESCC(C)c1cccc(NC2CCCNCC2)c1
InChIInChI=1S/C15H24N2/c1-12(2)13-5-3-6-15(11-13)17-14-7-4-9-16-10-8-14/h3,5-6,11-12,14,16-17H,4,7-10H2,1-2H3
InChIKeySYVVHWAHRJDPLS-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.36
Rot. Bonds3

About N-(3-propan-2-ylphenyl)azepan-4-amine

N-(3-propan-2-ylphenyl)azepan-4-amine (PubChem CID 113361401) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)azepan-4-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)azepan-4-amine
PubChem CID113361401
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(3-propan-2-ylphenyl)azepan-4-amine
SMILESCC(C)c1cccc(NC2CCCNCC2)c1
InChIInChI=1S/C15H24N2/c1-12(2)13-5-3-6-15(11-13)17-14-7-4-9-16-10-8-14/h3,5-6,11-12,14,16-17H,4,7-10H2,1-2H3
InChIKeySYVVHWAHRJDPLS-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)azepan-4-amine?
The IUPAC name of N-(3-propan-2-ylphenyl)azepan-4-amine (CID 113361401) is N-(3-propan-2-ylphenyl)azepan-4-amine.
What is the SMILES notation for N-(3-propan-2-ylphenyl)azepan-4-amine?
The canonical SMILES for N-(3-propan-2-ylphenyl)azepan-4-amine is CC(C)c1cccc(NC2CCCNCC2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)azepan-4-amine?
The InChIKey is SYVVHWAHRJDPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)13-5-3-6-15(11-13)17-14-7-4-9-16-10-8-14/h3,5-6,11-12,14,16-17H,4,7-10H2,1-2H3.
What are the key properties of N-(3-propan-2-ylphenyl)azepan-4-amine?
N-(3-propan-2-ylphenyl)azepan-4-amine has a molecular weight of 232.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)azepan-4-amine is sourced from PubChem (CID 113361401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).