2-[amino(propan-2-yl)amino]pyridine-3,4-diamine

C8H15N5 — CID 142386454

IUPAC2-[amino(propan-2-yl)amino]pyridine-3,4-diamine
SMILESCC(C)N(N)c1nccc(N)c1N
InChIInChI=1S/C8H15N5/c1-5(2)13(11)8-7(10)6(9)3-4-12-8/h3-5H,10-11H2,1-2H3,(H2,9,12)
InChIKeyYKFSYFPXCFLTQC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.33
Rot. Bonds2

About 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine

2-[amino(propan-2-yl)amino]pyridine-3,4-diamine (PubChem CID 142386454) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]pyridine-3,4-diamine
PubChem CID142386454
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name2-[amino(propan-2-yl)amino]pyridine-3,4-diamine
SMILESCC(C)N(N)c1nccc(N)c1N
InChIInChI=1S/C8H15N5/c1-5(2)13(11)8-7(10)6(9)3-4-12-8/h3-5H,10-11H2,1-2H3,(H2,9,12)
InChIKeyYKFSYFPXCFLTQC-UHFFFAOYSA-N
XLogP0.33
TPSA94.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine?
The IUPAC name of 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine (CID 142386454) is 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine?
The canonical SMILES for 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine is CC(C)N(N)c1nccc(N)c1N.
What is the InChIKey of 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine?
The InChIKey is YKFSYFPXCFLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-5(2)13(11)8-7(10)6(9)3-4-12-8/h3-5H,10-11H2,1-2H3,(H2,9,12).
What are the key properties of 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine?
2-[amino(propan-2-yl)amino]pyridine-3,4-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]pyridine-3,4-diamine is sourced from PubChem (CID 142386454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).