(3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine

C15H24N2 — CID 105154454

IUPAC(3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C15H24N2/c1-10-6-7-13(9-11(10)2)15(16)14-5-4-8-17-12(14)3/h4-5,8,10-11,13,15H,6-7,9,16H2,1-3H3
InChIKeyITKBCECRKRVKBL-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.46
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine

(3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine (PubChem CID 105154454) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine
PubChem CID105154454
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C15H24N2/c1-10-6-7-13(9-11(10)2)15(16)14-5-4-8-17-12(14)3/h4-5,8,10-11,13,15H,6-7,9,16H2,1-3H3
InChIKeyITKBCECRKRVKBL-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine (CID 105154454) is (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine is Cc1ncccc1C(N)C1CCC(C)C(C)C1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine?
The InChIKey is ITKBCECRKRVKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-6-7-13(9-11(10)2)15(16)14-5-4-8-17-12(14)3/h4-5,8,10-11,13,15H,6-7,9,16H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine?
(3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine has a molecular weight of 232.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105154454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).