4-(2-aminoethyl)pyridin-3-amine

C7H11N3 — CID 55254309

IUPAC4-(2-aminoethyl)pyridin-3-amine
SMILESNCCc1ccncc1N
InChIInChI=1S/C7H11N3/c8-3-1-6-2-4-10-5-7(6)9/h2,4-5H,1,3,8-9H2
InChIKeyWJSJWKRVAFNQIP-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.17
Rot. Bonds2

About 4-(2-aminoethyl)pyridin-3-amine

4-(2-aminoethyl)pyridin-3-amine (PubChem CID 55254309) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-(2-aminoethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)pyridin-3-amine
PubChem CID55254309
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-(2-aminoethyl)pyridin-3-amine
SMILESNCCc1ccncc1N
InChIInChI=1S/C7H11N3/c8-3-1-6-2-4-10-5-7(6)9/h2,4-5H,1,3,8-9H2
InChIKeyWJSJWKRVAFNQIP-UHFFFAOYSA-N
XLogP0.17
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)pyridin-3-amine?
The IUPAC name of 4-(2-aminoethyl)pyridin-3-amine (CID 55254309) is 4-(2-aminoethyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-aminoethyl)pyridin-3-amine?
The canonical SMILES for 4-(2-aminoethyl)pyridin-3-amine is NCCc1ccncc1N.
What is the InChIKey of 4-(2-aminoethyl)pyridin-3-amine?
The InChIKey is WJSJWKRVAFNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-3-1-6-2-4-10-5-7(6)9/h2,4-5H,1,3,8-9H2.
What are the key properties of 4-(2-aminoethyl)pyridin-3-amine?
4-(2-aminoethyl)pyridin-3-amine has a molecular weight of 137.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)pyridin-3-amine is sourced from PubChem (CID 55254309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).