1-cyclopentyl-5,5-dimethylhexan-2-amine

C13H27N — CID 115850049

IUPAC1-cyclopentyl-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)CC1CCCC1
InChIInChI=1S/C13H27N/c1-13(2,3)9-8-12(14)10-11-6-4-5-7-11/h11-12H,4-10,14H2,1-3H3
InChIKeyIUXRTRLKWMLLJX-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.72
Rot. Bonds4

About 1-cyclopentyl-5,5-dimethylhexan-2-amine

1-cyclopentyl-5,5-dimethylhexan-2-amine (PubChem CID 115850049) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-cyclopentyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-5,5-dimethylhexan-2-amine
PubChem CID115850049
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-cyclopentyl-5,5-dimethylhexan-2-amine
SMILESCC(C)(C)CCC(N)CC1CCCC1
InChIInChI=1S/C13H27N/c1-13(2,3)9-8-12(14)10-11-6-4-5-7-11/h11-12H,4-10,14H2,1-3H3
InChIKeyIUXRTRLKWMLLJX-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclopropyl-5,5,5-trifluoropentan-2-amine
CID 79952888
1-cyclopentyldecan-2-amine
CID 115835607
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
1-cycloheptylheptan-2-amine
CID 115837607
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
CID 103025087
1-cyclobutyl-N,5,5-trimethylhexan-2-amine
CID 103168554
1-cyclohexyl-5-methoxyhexan-2-amine
CID 105135842
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine
CID 115850224

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-cyclopentyl-5,5-dimethylhexan-2-amine (CID 115850049) is 1-cyclopentyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-cyclopentyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-cyclopentyl-5,5-dimethylhexan-2-amine is CC(C)(C)CCC(N)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5,5-dimethylhexan-2-amine?
The InChIKey is IUXRTRLKWMLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-13(2,3)9-8-12(14)10-11-6-4-5-7-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cyclopentyl-5,5-dimethylhexan-2-amine?
1-cyclopentyl-5,5-dimethylhexan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 115850049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).