2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine

C13H21N3 — CID 81131400

IUPAC2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)C2CCCC2)n1
InChIInChI=1S/C13H21N3/c1-9-7-8-12(14)13(15-9)16-10(2)11-5-3-4-6-11/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZPLPQTRSIKIHPR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

About 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine

2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine (PubChem CID 81131400) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
PubChem CID81131400
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)C2CCCC2)n1
InChIInChI=1S/C13H21N3/c1-9-7-8-12(14)13(15-9)16-10(2)11-5-3-4-6-11/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZPLPQTRSIKIHPR-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine (CID 81131400) is 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(NC(C)C2CCCC2)n1.
What is the InChIKey of 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine?
The InChIKey is ZPLPQTRSIKIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-7-8-12(14)13(15-9)16-10(2)11-5-3-4-6-11/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine?
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81131400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).