N-methyl-N-(2-phenylethyl)azepan-4-amine

C15H24N2 — CID 65486182

IUPACN-methyl-N-(2-phenylethyl)azepan-4-amine
SMILESCN(CCc1ccccc1)C1CCCNCC1
InChIInChI=1S/C15H24N2/c1-17(15-8-5-11-16-12-9-15)13-10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyHTZZTINVKYPBKB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.30
Rot. Bonds4

About N-methyl-N-(2-phenylethyl)azepan-4-amine

N-methyl-N-(2-phenylethyl)azepan-4-amine (PubChem CID 65486182) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)azepan-4-amine
PubChem CID65486182
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-N-(2-phenylethyl)azepan-4-amine
SMILESCN(CCc1ccccc1)C1CCCNCC1
InChIInChI=1S/C15H24N2/c1-17(15-8-5-11-16-12-9-15)13-10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyHTZZTINVKYPBKB-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)azepan-4-amine (CID 65486182) is N-methyl-N-(2-phenylethyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)azepan-4-amine is CN(CCc1ccccc1)C1CCCNCC1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)azepan-4-amine?
The InChIKey is HTZZTINVKYPBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17(15-8-5-11-16-12-9-15)13-10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)azepan-4-amine?
N-methyl-N-(2-phenylethyl)azepan-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)azepan-4-amine is sourced from PubChem (CID 65486182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).