N-[(1S)-1-cyclohexylethyl]heptan-3-amine

C15H31N — CID 81387279

IUPACN-[(1S)-1-cyclohexylethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H31N/c1-4-6-12-15(5-2)16-13(3)14-10-8-7-9-11-14/h13-16H,4-12H2,1-3H3/t13-,15?/m0/s1
InChIKeyLFXLYSIJVMTKAW-CFMCSPIPSA-N
MW225.42 g/mol
LogP4.51
Rot. Bonds7

About N-[(1S)-1-cyclohexylethyl]heptan-3-amine

N-[(1S)-1-cyclohexylethyl]heptan-3-amine (PubChem CID 81387279) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]heptan-3-amine
PubChem CID81387279
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[(1S)-1-cyclohexylethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H31N/c1-4-6-12-15(5-2)16-13(3)14-10-8-7-9-11-14/h13-16H,4-12H2,1-3H3/t13-,15?/m0/s1
InChIKeyLFXLYSIJVMTKAW-CFMCSPIPSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
N-(1-cyclopropylethyl)undecan-6-amine
CID 43776560
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-(1-cyclopropylethyl)hexan-2-amine
CID 43776552
N-[1-(1-ethylpiperidin-4-yl)ethyl]octan-4-amine
CID 106023059
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
CID 81386949
2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
CID 62405918
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]heptan-3-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]heptan-3-amine (CID 81387279) is N-[(1S)-1-cyclohexylethyl]heptan-3-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]heptan-3-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]heptan-3-amine is CCCCC(CC)N[C@@H](C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]heptan-3-amine?
The InChIKey is LFXLYSIJVMTKAW-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H31N/c1-4-6-12-15(5-2)16-13(3)14-10-8-7-9-11-14/h13-16H,4-12H2,1-3H3/t13-,15?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]heptan-3-amine?
N-[(1S)-1-cyclohexylethyl]heptan-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]heptan-3-amine is sourced from PubChem (CID 81387279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).