4-propan-2-yl-3H-pyridine-2,4-diamine

C8H15N3 — CID 167485611

IUPAC4-propan-2-yl-3H-pyridine-2,4-diamine
SMILESCC(C)C1(N)C=CN=C(N)C1
InChIInChI=1S/C8H15N3/c1-6(2)8(10)3-4-11-7(9)5-8/h3-4,6H,5,10H2,1-2H3,(H2,9,11)
InChIKeyZBPHGDLFUPPHLE-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.61
Rot. Bonds1

About 4-propan-2-yl-3H-pyridine-2,4-diamine

4-propan-2-yl-3H-pyridine-2,4-diamine (PubChem CID 167485611) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-propan-2-yl-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-propan-2-yl-3H-pyridine-2,4-diamine
PubChem CID167485611
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-propan-2-yl-3H-pyridine-2,4-diamine
SMILESCC(C)C1(N)C=CN=C(N)C1
InChIInChI=1S/C8H15N3/c1-6(2)8(10)3-4-11-7(9)5-8/h3-4,6H,5,10H2,1-2H3,(H2,9,11)
InChIKeyZBPHGDLFUPPHLE-UHFFFAOYSA-N
XLogP0.61
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3H-pyridine-2,4-diamine?
The IUPAC name of 4-propan-2-yl-3H-pyridine-2,4-diamine (CID 167485611) is 4-propan-2-yl-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-propan-2-yl-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-propan-2-yl-3H-pyridine-2,4-diamine is CC(C)C1(N)C=CN=C(N)C1.
What is the InChIKey of 4-propan-2-yl-3H-pyridine-2,4-diamine?
The InChIKey is ZBPHGDLFUPPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)8(10)3-4-11-7(9)5-8/h3-4,6H,5,10H2,1-2H3,(H2,9,11).
What are the key properties of 4-propan-2-yl-3H-pyridine-2,4-diamine?
4-propan-2-yl-3H-pyridine-2,4-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).