3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine

C15H25N3 — CID 64761401

IUPAC3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCC1CCCC(Nc2cnccc2N(C)C)C1C
InChIInChI=1S/C15H25N3/c1-11-6-5-7-13(12(11)2)17-14-10-16-9-8-15(14)18(3)4/h8-13,17H,5-7H2,1-4H3
InChIKeyJABDJYORARHIJC-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.38
Rot. Bonds3

About 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 64761401) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID64761401
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCC1CCCC(Nc2cnccc2N(C)C)C1C
InChIInChI=1S/C15H25N3/c1-11-6-5-7-13(12(11)2)17-14-10-16-9-8-15(14)18(3)4/h8-13,17H,5-7H2,1-4H3
InChIKeyJABDJYORARHIJC-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2,5-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 64761403
3-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64761023
4-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridin-3-amine
CID 95379111
4-N,4-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3,4-diamine
CID 43678601
3-N-(4-ethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678524
3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64762651
3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 79461219
3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678526
4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine
CID 43779940
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
2-N,2-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 65044322
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine (CID 64761401) is 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine is CC1CCCC(Nc2cnccc2N(C)C)C1C.
What is the InChIKey of 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is JABDJYORARHIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-6-5-7-13(12(11)2)17-14-10-16-9-8-15(14)18(3)4/h8-13,17H,5-7H2,1-4H3.
What are the key properties of 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 64761401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).