2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine

C14H23N3 — CID 83265260

IUPAC2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC2CCC(C)(C)CC2)cc1N
InChIInChI=1S/C14H23N3/c1-10-9-16-13(8-12(10)15)17-11-4-6-14(2,3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H3,15,16,17)
InChIKeyCIMCEAXEUKILFB-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.35
Rot. Bonds2

About 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine

2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine (PubChem CID 83265260) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
PubChem CID83265260
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC2CCC(C)(C)CC2)cc1N
InChIInChI=1S/C14H23N3/c1-10-9-16-13(8-12(10)15)17-11-4-6-14(2,3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H3,15,16,17)
InChIKeyCIMCEAXEUKILFB-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pinacidil
CID 55329
2-(Benzylamino)pyridine
CID 23362
Pinacidil anhydrous
CID 4826
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
(S)-Pinacidil
CID 6603960
ST50596615
CID 2731040
Pinacidil anhydrous, (R)-
CID 12428581
3,6-dimethyl-4-N-(pentan-3-yl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-diamine
CID 21912204
N~3~-Benzylpyridine-2,3-diamine
CID 10397869

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine (CID 83265260) is 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine is Cc1cnc(NC2CCC(C)(C)CC2)cc1N.
What is the InChIKey of 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
The InChIKey is CIMCEAXEUKILFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-9-16-13(8-12(10)15)17-11-4-6-14(2,3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine?
2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).