N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine

C16H32N2 — CID 81384724

IUPACN-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(N[C@@H](C)C2CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-3-18-12-7-10-16(11-13-18)17-14(2)15-8-5-4-6-9-15/h14-17H,3-13H2,1-2H3/t14-,16?/m0/s1
InChIKeyYUTWMWYQMCTHNK-LBAUFKAWSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine

N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine (PubChem CID 81384724) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
PubChem CID81384724
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(N[C@@H](C)C2CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-3-18-12-7-10-16(11-13-18)17-14(2)15-8-5-4-6-9-15/h14-17H,3-13H2,1-2H3/t14-,16?/m0/s1
InChIKeyYUTWMWYQMCTHNK-LBAUFKAWSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
1-ethyl-N-[1-(oxolan-2-yl)ethyl]azepan-4-amine
CID 65074185
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
1-ethyl-N-octan-2-ylazepan-4-amine
CID 65073941
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine (CID 81384724) is N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine is CCN1CCCC(N[C@@H](C)C2CCCCC2)CC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine?
The InChIKey is YUTWMWYQMCTHNK-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-18-12-7-10-16(11-13-18)17-14(2)15-8-5-4-6-9-15/h14-17H,3-13H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine?
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine is sourced from PubChem (CID 81384724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).