4-ethyl-3H-pyridine-3,4-diamine

C7H13N3 — CID 154116447

IUPAC4-ethyl-3H-pyridine-3,4-diamine
SMILESCCC1(N)C=CN=CC1N
InChIInChI=1S/C7H13N3/c1-2-7(9)3-4-10-5-6(7)8/h3-6H,2,8-9H2,1H3
InChIKeyQIZRSDQOAQNLOC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.02
Rot. Bonds1

About 4-ethyl-3H-pyridine-3,4-diamine

4-ethyl-3H-pyridine-3,4-diamine (PubChem CID 154116447) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethyl-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-ethyl-3H-pyridine-3,4-diamine
PubChem CID154116447
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-ethyl-3H-pyridine-3,4-diamine
SMILESCCC1(N)C=CN=CC1N
InChIInChI=1S/C7H13N3/c1-2-7(9)3-4-10-5-6(7)8/h3-6H,2,8-9H2,1H3
InChIKeyQIZRSDQOAQNLOC-UHFFFAOYSA-N
XLogP0.02
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3H-pyridine-3,4-diamine?
The IUPAC name of 4-ethyl-3H-pyridine-3,4-diamine (CID 154116447) is 4-ethyl-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-ethyl-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-ethyl-3H-pyridine-3,4-diamine is CCC1(N)C=CN=CC1N.
What is the InChIKey of 4-ethyl-3H-pyridine-3,4-diamine?
The InChIKey is QIZRSDQOAQNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-7(9)3-4-10-5-6(7)8/h3-6H,2,8-9H2,1H3.
What are the key properties of 4-ethyl-3H-pyridine-3,4-diamine?
4-ethyl-3H-pyridine-3,4-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3H-pyridine-3,4-diamine is sourced from PubChem (CID 154116447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).