N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine

C16H31N — CID 64921140

IUPACN-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2C(C)CCCC2C)C1C
InChIInChI=1S/C16H31N/c1-5-14-9-10-15(13(14)4)17-16-11(2)7-6-8-12(16)3/h11-17H,5-10H2,1-4H3
InChIKeyHKJKSYIWNPUODB-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine

N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine (PubChem CID 64921140) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine
PubChem CID64921140
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2C(C)CCCC2C)C1C
InChIInChI=1S/C16H31N/c1-5-14-9-10-15(13(14)4)17-16-11(2)7-6-8-12(16)3/h11-17H,5-10H2,1-4H3
InChIKeyHKJKSYIWNPUODB-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-2-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64921128
N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 64922154
N-(3-ethyl-2-methylcyclopentyl)oxepan-4-amine
CID 65079209
3-ethyl-2-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79544598
1,3-diethyl-2-methylcyclopentane
CID 123589151
3-N-(3-ethyl-2-methylcyclopentyl)cyclopentane-1,3-diamine
CID 79462176
3-ethyl-2-methyl-N-(3-propan-2-ylcyclobutyl)cyclopentan-1-amine
CID 103561998
1-ethyl-N-(3-ethyl-2-methylcyclopentyl)piperidin-4-amine
CID 64922128
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
CID 123341709
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine (CID 64921140) is N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine is CCC1CCC(NC2C(C)CCCC2C)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine?
The InChIKey is HKJKSYIWNPUODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-14-9-10-15(13(14)4)17-16-11(2)7-6-8-12(16)3/h11-17H,5-10H2,1-4H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine?
N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64921140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).