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

C15H25N3 — CID 80840678

IUPAC2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NC2CCC(CC)C2C)n1
InChIInChI=1S/C15H25N3/c1-4-12-9-10-13(11(12)3)17-15-8-6-7-14(18-15)16-5-2/h6-8,11-13H,4-5,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyZZKKMBIMFFDMMN-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.75
Rot. Bonds5

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

2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine (PubChem CID 80840678) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine
PubChem CID80840678
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NC2CCC(CC)C2C)n1
InChIInChI=1S/C15H25N3/c1-4-12-9-10-13(11(12)3)17-15-8-6-7-14(18-15)16-5-2/h6-8,11-13H,4-5,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyZZKKMBIMFFDMMN-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine (CID 80840678) is 2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine is CCNc1cccc(NC2CCC(CC)C2C)n1.
What is the InChIKey of 2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine?
The InChIKey is ZZKKMBIMFFDMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-12-9-10-13(11(12)3)17-15-8-6-7-14(18-15)16-5-2/h6-8,11-13H,4-5,9-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.75, 5 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-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine is sourced from PubChem (CID 80840678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).