N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine

C16H31N — CID 64922154

IUPACN-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(C)(C)CC2)C1C
InChIInChI=1S/C16H31N/c1-5-13-6-7-15(12(13)2)17-14-8-10-16(3,4)11-9-14/h12-15,17H,5-11H2,1-4H3
InChIKeyZNPPOMISPPLPFC-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine

N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 64922154) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID64922154
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(C)(C)CC2)C1C
InChIInChI=1S/C16H31N/c1-5-13-6-7-15(12(13)2)17-14-8-10-16(3,4)11-9-14/h12-15,17H,5-11H2,1-4H3
InChIKeyZNPPOMISPPLPFC-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine (CID 64922154) is N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine is CCC1CCC(NC2CCC(C)(C)CC2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is ZNPPOMISPPLPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-13-6-7-15(12(13)2)17-14-8-10-16(3,4)11-9-14/h12-15,17H,5-11H2,1-4H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine?
N-(3-ethyl-2-methylcyclopentyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 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)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64922154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).