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

C13H20ClN3 — CID 114046172

IUPAC3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CCCCC1N(C)c1ncc(N)cc1Cl
InChIInChI=1S/C13H20ClN3/c1-9-5-3-4-6-12(9)17(2)13-11(14)7-10(15)8-16-13/h7-9,12H,3-6,15H2,1-2H3
InChIKeySGBRLVGPYPENMU-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.33
Rot. Bonds2

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

3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine (PubChem CID 114046172) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
PubChem CID114046172
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CCCCC1N(C)c1ncc(N)cc1Cl
InChIInChI=1S/C13H20ClN3/c1-9-5-3-4-6-12(9)17(2)13-11(14)7-10(15)8-16-13/h7-9,12H,3-6,15H2,1-2H3
InChIKeySGBRLVGPYPENMU-UHFFFAOYSA-N
XLogP3.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 79535351
[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
CID 55005290
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62288638
3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288457
5-(bromomethyl)-N,3-dimethyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 107082051
3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 102637871
5-methyl-6-[methyl-(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 80632415
2-N,6-dimethyl-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 81131626
3-N-methyl-3-N-(2-methylcyclohexyl)quinoxaline-2,3-diamine
CID 102986061
6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 62483372
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62289350
2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80820849

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine (CID 114046172) is 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine is CC1CCCCC1N(C)c1ncc(N)cc1Cl.
What is the InChIKey of 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is SGBRLVGPYPENMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-5-3-4-6-12(9)17(2)13-11(14)7-10(15)8-16-13/h7-9,12H,3-6,15H2,1-2H3.
What are the key properties of 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 253.78 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 114046172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).