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

C13H21N3 — CID 79861244

IUPAC4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
SMILESCC1(C)CCCCC1Nc1ccncc1N
InChIInChI=1S/C13H21N3/c1-13(2)7-4-3-5-12(13)16-11-6-8-15-9-10(11)14/h6,8-9,12H,3-5,7,14H2,1-2H3,(H,15,16)
InChIKeyUYYGSFVQYRDLQQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds2

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

4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine (PubChem CID 79861244) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
PubChem CID79861244
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
SMILESCC1(C)CCCCC1Nc1ccncc1N
InChIInChI=1S/C13H21N3/c1-13(2)7-4-3-5-12(13)16-11-6-8-15-9-10(11)14/h6,8-9,12H,3-5,7,14H2,1-2H3,(H,15,16)
InChIKeyUYYGSFVQYRDLQQ-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2,2-dimethylcyclohexyl)isoquinoline-5,8-diamine
CID 79861810
N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine
CID 79829205
3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine
CID 104540565
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 79860994
5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
CID 103518309
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
6-N-(2,2-dimethylcyclohexyl)-1H-indazole-5,6-diamine
CID 107490640
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
ethyl 3-amino-4-[(2,2-dimethylcyclohexyl)amino]benzoate
CID 79870537

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine (CID 79861244) is 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine is CC1(C)CCCCC1Nc1ccncc1N.
What is the InChIKey of 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
The InChIKey is UYYGSFVQYRDLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)7-4-3-5-12(13)16-11-6-8-15-9-10(11)14/h6,8-9,12H,3-5,7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine is sourced from PubChem (CID 79861244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).