3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine

C15H25N3 — CID 104533446

IUPAC3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC2CCC(CC)CC2)c1
InChIInChI=1S/C15H25N3/c1-3-12-5-7-13(8-6-12)18-15-9-14(17-4-2)10-16-11-15/h9-13,17-18H,3-8H2,1-2H3
InChIKeyMTFRSLMIGSTQIF-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.89
Rot. Bonds5

About 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine (PubChem CID 104533446) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine
PubChem CID104533446
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC2CCC(CC)CC2)c1
InChIInChI=1S/C15H25N3/c1-3-12-5-7-13(8-6-12)18-15-9-14(17-4-2)10-16-11-15/h9-13,17-18H,3-8H2,1-2H3
InChIKeyMTFRSLMIGSTQIF-UHFFFAOYSA-N
XLogP3.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine (CID 104533446) is 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine is CCNc1cncc(NC2CCC(CC)CC2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine?
The InChIKey is MTFRSLMIGSTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-12-5-7-13(8-6-12)18-15-9-14(17-4-2)10-16-11-15/h9-13,17-18H,3-8H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(4-ethylcyclohexyl)pyridine-3,5-diamine is sourced from PubChem (CID 104533446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).