N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine

C16H31N — CID 81320577

IUPACN-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC1CCCC1(C)C
InChIInChI=1S/C16H31N/c1-12-11-15(2,3)10-8-13(12)17-14-7-6-9-16(14,4)5/h12-14,17H,6-11H2,1-5H3
InChIKeyKIVIINDISFDDET-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine

N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81320577) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81320577
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NC1CCCC1(C)C
InChIInChI=1S/C16H31N/c1-12-11-15(2,3)10-8-13(12)17-14-7-6-9-16(14,4)5/h12-14,17H,6-11H2,1-5H3
InChIKeyKIVIINDISFDDET-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 79856410
N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine
CID 102672503
N-(2,2-dimethylcyclopentyl)-2-methoxycyclohexan-1-amine
CID 79860878
9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 81320651
2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
CID 79948975
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 102731420
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine (CID 81320577) is N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine is CC1CC(C)(C)CCC1NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is KIVIINDISFDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-11-15(2,3)10-8-13(12)17-14-7-6-9-16(14,4)5/h12-14,17H,6-11H2,1-5H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine?
N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81320577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).