N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine

C17H35N — CID 81386949

IUPACN-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C17H35N/c1-13(2)11-17(12-14(3)4)18-15(5)16-9-7-6-8-10-16/h13-18H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyQPVKMMWYACEIGL-HNNXBMFYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds7

About N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine

N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine (PubChem CID 81386949) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
PubChem CID81386949
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C17H35N/c1-13(2)11-17(12-14(3)4)18-15(5)16-9-7-6-8-10-16/h13-18H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyQPVKMMWYACEIGL-HNNXBMFYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
CID 81386842
2-N-(1-cyclopentylethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62632470
N-(1-cyclopentylethyl)-4-methylpentan-2-amine
CID 62632621
N-[(1S)-1-cyclopentylethyl]-4-methylpentan-2-amine
CID 81386383
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
(1-cycloheptyl-3-methylbutyl)hydrazine
CID 105198928
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine (CID 81386949) is N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)N[C@@H](C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine?
The InChIKey is QPVKMMWYACEIGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H35N/c1-13(2)11-17(12-14(3)4)18-15(5)16-9-7-6-8-10-16/h13-18H,6-12H2,1-5H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine?
N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 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]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 81386949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).