4-(1-methylcyclopentyl)cyclohexan-1-amine

C12H23N — CID 54343736

IUPAC4-(1-methylcyclopentyl)cyclohexan-1-amine
SMILESCC1(C2CCC(N)CC2)CCCC1
InChIInChI=1S/C12H23N/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h10-11H,2-9,13H2,1H3
InChIKeyPUPKIOYTMWDSPB-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.08
Rot. Bonds1

About 4-(1-methylcyclopentyl)cyclohexan-1-amine

4-(1-methylcyclopentyl)cyclohexan-1-amine (PubChem CID 54343736) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-(1-methylcyclopentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-methylcyclopentyl)cyclohexan-1-amine
PubChem CID54343736
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-(1-methylcyclopentyl)cyclohexan-1-amine
SMILESCC1(C2CCC(N)CC2)CCCC1
InChIInChI=1S/C12H23N/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h10-11H,2-9,13H2,1H3
InChIKeyPUPKIOYTMWDSPB-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopentyl)cyclohexan-1-amine?
The IUPAC name of 4-(1-methylcyclopentyl)cyclohexan-1-amine (CID 54343736) is 4-(1-methylcyclopentyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1-methylcyclopentyl)cyclohexan-1-amine?
The canonical SMILES for 4-(1-methylcyclopentyl)cyclohexan-1-amine is CC1(C2CCC(N)CC2)CCCC1.
What is the InChIKey of 4-(1-methylcyclopentyl)cyclohexan-1-amine?
The InChIKey is PUPKIOYTMWDSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 4-(1-methylcyclopentyl)cyclohexan-1-amine?
4-(1-methylcyclopentyl)cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopentyl)cyclohexan-1-amine is sourced from PubChem (CID 54343736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).