2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine

C14H22N2 — CID 79042072

IUPAC2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCC1CCC(C)CC1
InChIInChI=1S/C14H22N2/c1-11-5-7-13(8-6-11)10-16-14-4-3-9-15-12(14)2/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyKNIANNFBIZSDSW-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.63
Rot. Bonds3

About 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine

2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine (PubChem CID 79042072) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
PubChem CID79042072
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCC1CCC(C)CC1
InChIInChI=1S/C14H22N2/c1-11-5-7-13(8-6-11)10-16-14-4-3-9-15-12(14)2/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyKNIANNFBIZSDSW-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine (CID 79042072) is 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine is Cc1ncccc1NCC1CCC(C)CC1.
What is the InChIKey of 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine?
The InChIKey is KNIANNFBIZSDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-7-13(8-6-11)10-16-14-4-3-9-15-12(14)2/h3-4,9,11,13,16H,5-8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine?
2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine is sourced from PubChem (CID 79042072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).