3-(2-cyclopropylphenyl)pyridine-2,6-diamine

C14H15N3 — CID 139370145

IUPAC3-(2-cyclopropylphenyl)pyridine-2,6-diamine
SMILESNc1ccc(-c2ccccc2C2CC2)c(N)n1
InChIInChI=1S/C14H15N3/c15-13-8-7-12(14(16)17-13)11-4-2-1-3-10(11)9-5-6-9/h1-4,7-9H,5-6H2,(H4,15,16,17)
InChIKeyBWHVACWKANNNPF-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.79
Rot. Bonds2

About 3-(2-cyclopropylphenyl)pyridine-2,6-diamine

3-(2-cyclopropylphenyl)pyridine-2,6-diamine (PubChem CID 139370145) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-(2-cyclopropylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(2-cyclopropylphenyl)pyridine-2,6-diamine
PubChem CID139370145
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-(2-cyclopropylphenyl)pyridine-2,6-diamine
SMILESNc1ccc(-c2ccccc2C2CC2)c(N)n1
InChIInChI=1S/C14H15N3/c15-13-8-7-12(14(16)17-13)11-4-2-1-3-10(11)9-5-6-9/h1-4,7-9H,5-6H2,(H4,15,16,17)
InChIKeyBWHVACWKANNNPF-UHFFFAOYSA-N
XLogP2.79
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3-(2-cyclopropylphenyl)pyridine-2,6-diamine (CID 139370145) is 3-(2-cyclopropylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-(2-cyclopropylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3-(2-cyclopropylphenyl)pyridine-2,6-diamine is Nc1ccc(-c2ccccc2C2CC2)c(N)n1.
What is the InChIKey of 3-(2-cyclopropylphenyl)pyridine-2,6-diamine?
The InChIKey is BWHVACWKANNNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-13-8-7-12(14(16)17-13)11-4-2-1-3-10(11)9-5-6-9/h1-4,7-9H,5-6H2,(H4,15,16,17).
What are the key properties of 3-(2-cyclopropylphenyl)pyridine-2,6-diamine?
3-(2-cyclopropylphenyl)pyridine-2,6-diamine has a molecular weight of 225.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 139370145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).