2-N-(3-methylcyclopentyl)pyridine-2,4-diamine

C11H17N3 — CID 114543200

IUPAC2-N-(3-methylcyclopentyl)pyridine-2,4-diamine
SMILESCC1CCC(Nc2cc(N)ccn2)C1
InChIInChI=1S/C11H17N3/c1-8-2-3-10(6-8)14-11-7-9(12)4-5-13-11/h4-5,7-8,10H,2-3,6H2,1H3,(H3,12,13,14)
InChIKeyKENNQHRGNYZWJO-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.26
Rot. Bonds2

About 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine

2-N-(3-methylcyclopentyl)pyridine-2,4-diamine (PubChem CID 114543200) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylcyclopentyl)pyridine-2,4-diamine
PubChem CID114543200
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-N-(3-methylcyclopentyl)pyridine-2,4-diamine
SMILESCC1CCC(Nc2cc(N)ccn2)C1
InChIInChI=1S/C11H17N3/c1-8-2-3-10(6-8)14-11-7-9(12)4-5-13-11/h4-5,7-8,10H,2-3,6H2,1H3,(H3,12,13,14)
InChIKeyKENNQHRGNYZWJO-UHFFFAOYSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine (CID 114543200) is 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine is CC1CCC(Nc2cc(N)ccn2)C1.
What is the InChIKey of 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
The InChIKey is KENNQHRGNYZWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-2-3-10(6-8)14-11-7-9(12)4-5-13-11/h4-5,7-8,10H,2-3,6H2,1H3,(H3,12,13,14).
What are the key properties of 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine?
2-N-(3-methylcyclopentyl)pyridine-2,4-diamine has a molecular weight of 191.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylcyclopentyl)pyridine-2,4-diamine is sourced from PubChem (CID 114543200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).