4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine

C9H16N4 — CID 82503805

IUPAC4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
SMILESCC(CN)N(C)c1ccncc1N
InChIInChI=1S/C9H16N4/c1-7(5-10)13(2)9-3-4-12-6-8(9)11/h3-4,6-7H,5,10-11H2,1-2H3
InChIKeyQOWGLDKZYBKRMO-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.45
Rot. Bonds3

About 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine

4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine (PubChem CID 82503805) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
PubChem CID82503805
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
SMILESCC(CN)N(C)c1ccncc1N
InChIInChI=1S/C9H16N4/c1-7(5-10)13(2)9-3-4-12-6-8(9)11/h3-4,6-7H,5,10-11H2,1-2H3
InChIKeyQOWGLDKZYBKRMO-UHFFFAOYSA-N
XLogP0.45
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine (CID 82503805) is 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine is CC(CN)N(C)c1ccncc1N.
What is the InChIKey of 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine?
The InChIKey is QOWGLDKZYBKRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(5-10)13(2)9-3-4-12-6-8(9)11/h3-4,6-7H,5,10-11H2,1-2H3.
What are the key properties of 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine?
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 82503805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).