(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine

C15H29N — CID 107189199

IUPAC(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)C2CCCC2C)CC1C
InChIInChI=1S/C15H29N/c1-10-7-8-13(9-12(10)3)15(16)14-6-4-5-11(14)2/h10-15H,4-9,16H2,1-3H3
InChIKeyLWGIRHLURBLUSL-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.82
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine

(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine (PubChem CID 107189199) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
PubChem CID107189199
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)C2CCCC2C)CC1C
InChIInChI=1S/C15H29N/c1-10-7-8-13(9-12(10)3)15(16)14-6-4-5-11(14)2/h10-15H,4-9,16H2,1-3H3
InChIKeyLWGIRHLURBLUSL-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine (CID 107189199) is (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine is CC1CCC(C(N)C2CCCC2C)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine?
The InChIKey is LWGIRHLURBLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-10-7-8-13(9-12(10)3)15(16)14-6-4-5-11(14)2/h10-15H,4-9,16H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine?
(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine has a molecular weight of 223.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107189199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).