5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine

C13H21N3 — CID 66279507

IUPAC5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine
SMILESCc1cnc(NC2CCC(C)CC2)c(N)c1
InChIInChI=1S/C13H21N3/c1-9-3-5-11(6-4-9)16-13-12(14)7-10(2)8-15-13/h7-9,11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZXKFWDLZEFVBSP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds2

About 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine

5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine (PubChem CID 66279507) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine
PubChem CID66279507
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine
SMILESCc1cnc(NC2CCC(C)CC2)c(N)c1
InChIInChI=1S/C13H21N3/c1-9-3-5-11(6-4-9)16-13-12(14)7-10(2)8-15-13/h7-9,11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZXKFWDLZEFVBSP-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
5-bromo-2-N-(3-methylcyclopentyl)pyridine-2,3-diamine
CID 114543210
2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
CID 83027015
5-chloro-2-N-cyclopentylpyridine-2,3-diamine
CID 58171612
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
CID 55185791
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
2-N-(1-cyclopropylethyl)-5-methylpyridine-2,3-diamine
CID 66281048
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine
CID 114118689
5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 64984981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine (CID 66279507) is 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine is Cc1cnc(NC2CCC(C)CC2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine?
The InChIKey is ZXKFWDLZEFVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-3-5-11(6-4-9)16-13-12(14)7-10(2)8-15-13/h7-9,11H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine?
5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine is sourced from PubChem (CID 66279507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).