2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine

C15H24N2 — CID 81320891

IUPAC2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine
SMILESCc1ncccc1NC1CCC(C)(C)CC1C
InChIInChI=1S/C15H24N2/c1-11-10-15(3,4)8-7-13(11)17-14-6-5-9-16-12(14)2/h5-6,9,11,13,17H,7-8,10H2,1-4H3
InChIKeyFNPHXNWBKCMZJG-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.02
Rot. Bonds2

About 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine

2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine (PubChem CID 81320891) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine
PubChem CID81320891
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine
SMILESCc1ncccc1NC1CCC(C)(C)CC1C
InChIInChI=1S/C15H24N2/c1-11-10-15(3,4)8-7-13(11)17-14-6-5-9-16-12(14)2/h5-6,9,11,13,17H,7-8,10H2,1-4H3
InChIKeyFNPHXNWBKCMZJG-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine?
The IUPAC name of 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine (CID 81320891) is 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine?
The canonical SMILES for 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine is Cc1ncccc1NC1CCC(C)(C)CC1C.
What is the InChIKey of 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine?
The InChIKey is FNPHXNWBKCMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-10-15(3,4)8-7-13(11)17-14-6-5-9-16-12(14)2/h5-6,9,11,13,17H,7-8,10H2,1-4H3.
What are the key properties of 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine?
2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,4-trimethylcyclohexyl)pyridin-3-amine is sourced from PubChem (CID 81320891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).