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

C12H19N3 — CID 114542004

IUPAC2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
SMILESCNc1cccc(NC2CCC(C)C2)n1
InChIInChI=1S/C12H19N3/c1-9-6-7-10(8-9)14-12-5-3-4-11(13-2)15-12/h3-5,9-10H,6-8H2,1-2H3,(H2,13,14,15)
InChIKeyWHTDGLWRVYMENW-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.72
Rot. Bonds3

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

2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine (PubChem CID 114542004) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
PubChem CID114542004
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine
SMILESCNc1cccc(NC2CCC(C)C2)n1
InChIInChI=1S/C12H19N3/c1-9-6-7-10(8-9)14-12-5-3-4-11(13-2)15-12/h3-5,9-10H,6-8H2,1-2H3,(H2,13,14,15)
InChIKeyWHTDGLWRVYMENW-UHFFFAOYSA-N
XLogP2.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine (CID 114542004) is 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine is CNc1cccc(NC2CCC(C)C2)n1.
What is the InChIKey of 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine?
The InChIKey is WHTDGLWRVYMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-6-7-10(8-9)14-12-5-3-4-11(13-2)15-12/h3-5,9-10H,6-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine has a molecular weight of 205.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(3-methylcyclopentyl)pyridine-2,6-diamine is sourced from PubChem (CID 114542004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).