3-(cyclopropylmethyl)pyridine-2,5-diamine

C9H13N3 — CID 69462247

IUPAC3-(cyclopropylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(N)c(CC2CC2)c1
InChIInChI=1S/C9H13N3/c10-8-4-7(3-6-1-2-6)9(11)12-5-8/h4-6H,1-3,10H2,(H2,11,12)
InChIKeyLWEFWLRWFHQMCY-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.20
Rot. Bonds2

About 3-(cyclopropylmethyl)pyridine-2,5-diamine

3-(cyclopropylmethyl)pyridine-2,5-diamine (PubChem CID 69462247) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)pyridine-2,5-diamine
PubChem CID69462247
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-(cyclopropylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(N)c(CC2CC2)c1
InChIInChI=1S/C9H13N3/c10-8-4-7(3-6-1-2-6)9(11)12-5-8/h4-6H,1-3,10H2,(H2,11,12)
InChIKeyLWEFWLRWFHQMCY-UHFFFAOYSA-N
XLogP1.20
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-(cyclopropylmethyl)pyridine-2,5-diamine (CID 69462247) is 3-(cyclopropylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-(cyclopropylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-(cyclopropylmethyl)pyridine-2,5-diamine is Nc1cnc(N)c(CC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethyl)pyridine-2,5-diamine?
The InChIKey is LWEFWLRWFHQMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-8-4-7(3-6-1-2-6)9(11)12-5-8/h4-6H,1-3,10H2,(H2,11,12).
What are the key properties of 3-(cyclopropylmethyl)pyridine-2,5-diamine?
3-(cyclopropylmethyl)pyridine-2,5-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 69462247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).