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

C16H33N — CID 81386842

IUPACN-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C16H33N/c1-12(2)10-16(11-13(3)4)17-14(5)15-8-6-7-9-15/h12-17H,6-11H2,1-5H3/t14-/m0/s1
InChIKeyJYDJSRBFZAHWJV-AWEZNQCLSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds7

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

N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine (PubChem CID 81386842) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
PubChem CID81386842
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C16H33N/c1-12(2)10-16(11-13(3)4)17-14(5)15-8-6-7-9-15/h12-17H,6-11H2,1-5H3/t14-/m0/s1
InChIKeyJYDJSRBFZAHWJV-AWEZNQCLSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
CID 81386949
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
N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine (CID 81386842) is N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine?
The InChIKey is JYDJSRBFZAHWJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)10-16(11-13(3)4)17-14(5)15-8-6-7-9-15/h12-17H,6-11H2,1-5H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine?
N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 81386842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).