2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine

C14H23N3 — CID 80782760

IUPAC2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NC2CCCC(C)C2)n1
InChIInChI=1S/C14H23N3/c1-3-15-13-8-5-9-14(17-13)16-12-7-4-6-11(2)10-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H2,15,16,17)
InChIKeyOMILVNOBOLYAPA-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.50
Rot. Bonds4

About 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine (PubChem CID 80782760) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
PubChem CID80782760
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NC2CCCC(C)C2)n1
InChIInChI=1S/C14H23N3/c1-3-15-13-8-5-9-14(17-13)16-12-7-4-6-11(2)10-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H2,15,16,17)
InChIKeyOMILVNOBOLYAPA-UHFFFAOYSA-N
XLogP3.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine (CID 80782760) is 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine is CCNc1cccc(NC2CCCC(C)C2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
The InChIKey is OMILVNOBOLYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-15-13-8-5-9-14(17-13)16-12-7-4-6-11(2)10-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine is sourced from PubChem (CID 80782760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).