N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine

C14H22N2 — CID 79042594

IUPACN-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCC(C)CC1C
InChIInChI=1S/C14H22N2/c1-10-6-7-13(11(2)9-10)16-14-5-4-8-15-12(14)3/h4-5,8,10-11,13,16H,6-7,9H2,1-3H3
InChIKeyPPKFPBLNYCUSKO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.63
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine

N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine (PubChem CID 79042594) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine
PubChem CID79042594
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCC(C)CC1C
InChIInChI=1S/C14H22N2/c1-10-6-7-13(11(2)9-10)16-14-5-4-8-15-12(14)3/h4-5,8,10-11,13,16H,6-7,9H2,1-3H3
InChIKeyPPKFPBLNYCUSKO-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine (CID 79042594) is N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine is Cc1ncccc1NC1CCC(C)CC1C.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine?
The InChIKey is PPKFPBLNYCUSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-6-7-13(11(2)9-10)16-14-5-4-8-15-12(14)3/h4-5,8,10-11,13,16H,6-7,9H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine?
N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).