4-propyl-3H-pyridine-2,4-diamine

C8H15N3 — CID 70580143

IUPAC4-propyl-3H-pyridine-2,4-diamine
SMILESCCCC1(N)C=CN=C(N)C1
InChIInChI=1S/C8H15N3/c1-2-3-8(10)4-5-11-7(9)6-8/h4-5H,2-3,6,10H2,1H3,(H2,9,11)
InChIKeyZFRWLBOKFXEXDV-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.76
Rot. Bonds2

About 4-propyl-3H-pyridine-2,4-diamine

4-propyl-3H-pyridine-2,4-diamine (PubChem CID 70580143) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-propyl-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-propyl-3H-pyridine-2,4-diamine
PubChem CID70580143
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-propyl-3H-pyridine-2,4-diamine
SMILESCCCC1(N)C=CN=C(N)C1
InChIInChI=1S/C8H15N3/c1-2-3-8(10)4-5-11-7(9)6-8/h4-5H,2-3,6,10H2,1H3,(H2,9,11)
InChIKeyZFRWLBOKFXEXDV-UHFFFAOYSA-N
XLogP0.76
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-3H-pyridine-2,4-diamine?
The IUPAC name of 4-propyl-3H-pyridine-2,4-diamine (CID 70580143) is 4-propyl-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-propyl-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-propyl-3H-pyridine-2,4-diamine is CCCC1(N)C=CN=C(N)C1.
What is the InChIKey of 4-propyl-3H-pyridine-2,4-diamine?
The InChIKey is ZFRWLBOKFXEXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-8(10)4-5-11-7(9)6-8/h4-5H,2-3,6,10H2,1H3,(H2,9,11).
What are the key properties of 4-propyl-3H-pyridine-2,4-diamine?
4-propyl-3H-pyridine-2,4-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3H-pyridine-2,4-diamine is sourced from PubChem (CID 70580143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).