2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine

C14H27N — CID 64501138

IUPAC2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C)CC2C)C1
InChIInChI=1S/C14H27N/c1-10-5-7-14(12(3)8-10)15-13-6-4-11(2)9-13/h10-15H,4-9H2,1-3H3
InChIKeyPLOSNYCNVQBUBV-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds2

About 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine

2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine (PubChem CID 64501138) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
PubChem CID64501138
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C)CC2C)C1
InChIInChI=1S/C14H27N/c1-10-5-7-14(12(3)8-10)15-13-6-4-11(2)9-13/h10-15H,4-9H2,1-3H3
InChIKeyPLOSNYCNVQBUBV-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine (CID 64501138) is 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine is CC1CCC(NC2CCC(C)CC2C)C1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
The InChIKey is PLOSNYCNVQBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10-5-7-14(12(3)8-10)15-13-6-4-11(2)9-13/h10-15H,4-9H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine?
2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine is sourced from PubChem (CID 64501138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).