2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine

C12H17N3 — CID 79176344

IUPAC2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
SMILESCc1cc(NC2CC=CCC2)ncc1N
InChIInChI=1S/C12H17N3/c1-9-7-12(14-8-11(9)13)15-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6,13H2,1H3,(H,14,15)
InChIKeyWQECLIZHISHJRZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.49
Rot. Bonds2

About 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine

2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine (PubChem CID 79176344) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
PubChem CID79176344
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
SMILESCc1cc(NC2CC=CCC2)ncc1N
InChIInChI=1S/C12H17N3/c1-9-7-12(14-8-11(9)13)15-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6,13H2,1H3,(H,14,15)
InChIKeyWQECLIZHISHJRZ-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
CID 130540607
4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
CID 114122386
N-cyclohex-3-en-1-yl-3-methyl-1,2-oxazol-5-amine
CID 69161905
2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83265260
2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
CID 102768646
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
2-N-(cyclopropylsulfamoyl)-4-methylpyridine-2,5-diamine
CID 114804674
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 66331048
4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114869071
methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
CID 114075047
6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 133322671

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine (CID 79176344) is 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine is Cc1cc(NC2CC=CCC2)ncc1N.
What is the InChIKey of 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine?
The InChIKey is WQECLIZHISHJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-7-12(14-8-11(9)13)15-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6,13H2,1H3,(H,14,15).
What are the key properties of 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine?
2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79176344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).