6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine

C14H22ClN3 — CID 115474326

IUPAC6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine
SMILESCN(c1nc(Cl)ccc1N)C1CCC(C)(C)CC1
InChIInChI=1S/C14H22ClN3/c1-14(2)8-6-10(7-9-14)18(3)13-11(16)4-5-12(15)17-13/h4-5,10H,6-9,16H2,1-3H3
InChIKeyYJOGCCYAPPLUPO-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.72
Rot. Bonds2

About 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine

6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine (PubChem CID 115474326) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine
PubChem CID115474326
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine
SMILESCN(c1nc(Cl)ccc1N)C1CCC(C)(C)CC1
InChIInChI=1S/C14H22ClN3/c1-14(2)8-6-10(7-9-14)18(3)13-11(16)4-5-12(15)17-13/h4-5,10H,6-9,16H2,1-3H3
InChIKeyYJOGCCYAPPLUPO-UHFFFAOYSA-N
XLogP3.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-chloropyridin-2-amine
CID 2405403
6-chloro-4-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazine
CID 55252767
3-chloro-2-N-(2,6-diethylphenyl)-6-N-ethylpyridine-2,6-diamine
CID 172448604
2-chloro-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
CID 134857061
2-N-(4-chlorophenyl)-2-N-methylpyridine-2,3-diamine
CID 13560176
6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine
CID 58514884
(6-Chloro-4-methyl-pyridin-2-yl)-(2-methyl-allyl)-(4-trifluoromethyl-phenyl)-amine
CID 59161725
6-chloro-N-[1-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 63586533
(S)-6-Chloro-N-[1-(4-fluorophenyl)ethyl]pyridine-2-amine
CID 86620619
6-chloro-2-N-[(4-fluorophenyl)methyl]pyridine-2,3-diamine
CID 87228951
N-(4-chloro-3-fluorophenyl)-2-(cyclohexanecarboximidoyl)-6-(2-methyl-3-methylidenepiperazin-1-yl)pyridin-3-amine
CID 167098518
6-Chloro-2-(3,3-difluoropyrrolidin-1-yl)-4-phenylpyridin-3-amine
CID 168168475

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine (CID 115474326) is 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine is CN(c1nc(Cl)ccc1N)C1CCC(C)(C)CC1.
What is the InChIKey of 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine?
The InChIKey is YJOGCCYAPPLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-14(2)8-6-10(7-9-14)18(3)13-11(16)4-5-12(15)17-13/h4-5,10H,6-9,16H2,1-3H3.
What are the key properties of 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine?
6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine has a molecular weight of 267.80 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 115474326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).