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

C13H21N3 — CID 63995658

IUPAC5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CCC(Nc2ccc(N)nc2)C(C)C1
InChIInChI=1S/C13H21N3/c1-9-3-5-12(10(2)7-9)16-11-4-6-13(14)15-8-11/h4,6,8-10,12,16H,3,5,7H2,1-2H3,(H2,14,15)
InChIKeyOIJOADRZKXFWRN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds2

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

5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine (PubChem CID 63995658) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine
PubChem CID63995658
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CCC(Nc2ccc(N)nc2)C(C)C1
InChIInChI=1S/C13H21N3/c1-9-3-5-12(10(2)7-9)16-11-4-6-13(14)15-8-11/h4,6,8-10,12,16H,3,5,7H2,1-2H3,(H2,14,15)
InChIKeyOIJOADRZKXFWRN-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine (CID 63995658) is 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine is CC1CCC(Nc2ccc(N)nc2)C(C)C1.
What is the InChIKey of 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is OIJOADRZKXFWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-3-5-12(10(2)7-9)16-11-4-6-13(14)15-8-11/h4,6,8-10,12,16H,3,5,7H2,1-2H3,(H2,14,15).
What are the key properties of 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine?
5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 63995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).