1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine

C17H34N2 — CID 81384452

IUPAC1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)N[C@H](C)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-14(13-17-11-7-4-8-12-18-17)19-15(2)16-9-5-3-6-10-16/h14-19H,3-13H2,1-2H3/t14?,15-,17?/m1/s1
InChIKeyWFYTVEMKHHDZJN-ISXOHVOVSA-N
MW266.47 g/mol
LogP3.86
Rot. Bonds5

About 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine

1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine (PubChem CID 81384452) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
PubChem CID81384452
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)N[C@H](C)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-14(13-17-11-7-4-8-12-18-17)19-15(2)16-9-5-3-6-10-16/h14-19H,3-13H2,1-2H3/t14?,15-,17?/m1/s1
InChIKeyWFYTVEMKHHDZJN-ISXOHVOVSA-N
XLogP3.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide
CID 79560216
2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79560887
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
CID 113477132
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79549597
N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
CID 106023864

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine (CID 81384452) is 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine is CC(CC1CCCCCN1)N[C@H](C)C1CCCCC1.
What is the InChIKey of 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine?
The InChIKey is WFYTVEMKHHDZJN-ISXOHVOVSA-N. The full InChI is InChI=1S/C17H34N2/c1-14(13-17-11-7-4-8-12-18-17)19-15(2)16-9-5-3-6-10-16/h14-19H,3-13H2,1-2H3/t14?,15-,17?/m1/s1.
What are the key properties of 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine?
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine is sourced from PubChem (CID 81384452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).