N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine

C15H29N — CID 64740887

IUPACN-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(C)C(C)C2)C1
InChIInChI=1S/C15H29N/c1-4-13-6-8-15(10-13)16-14-7-5-11(2)12(3)9-14/h11-16H,4-10H2,1-3H3
InChIKeyTXMHCFKHWFZKFO-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds3

About N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine

N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 64740887) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID64740887
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
SMILESCCC1CCC(NC2CCC(C)C(C)C2)C1
InChIInChI=1S/C15H29N/c1-4-13-6-8-15(10-13)16-14-7-5-11(2)12(3)9-14/h11-16H,4-10H2,1-3H3
InChIKeyTXMHCFKHWFZKFO-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine (CID 64740887) is N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine is CCC1CCC(NC2CCC(C)C(C)C2)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is TXMHCFKHWFZKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-13-6-8-15(10-13)16-14-7-5-11(2)12(3)9-14/h11-16H,4-10H2,1-3H3.
What are the key properties of N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine?
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64740887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).