1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine

C15H24N2 — CID 81350289

IUPAC1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
SMILESC[C@H](NC1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(14-7-4-3-5-8-14)16-15-9-6-11-17(2)12-10-15/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15?/m0/s1
InChIKeyXCQZGJQDHGNJBC-CFMCSPIPSA-N
MW232.37 g/mol
LogP2.82
Rot. Bonds3

About 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine

1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine (PubChem CID 81350289) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
PubChem CID81350289
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
SMILESC[C@H](NC1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(14-7-4-3-5-8-14)16-15-9-6-11-17(2)12-10-15/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15?/m0/s1
InChIKeyXCQZGJQDHGNJBC-CFMCSPIPSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine (CID 81350289) is 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine is C[C@H](NC1CCCN(C)CC1)c1ccccc1.
What is the InChIKey of 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine?
The InChIKey is XCQZGJQDHGNJBC-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(14-7-4-3-5-8-14)16-15-9-6-11-17(2)12-10-15/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine?
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine is sourced from PubChem (CID 81350289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).