4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine

C7H13N3 — CID 86589049

IUPAC4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine
SMILESCNC1(NC)C=CN=CC1
InChIInChI=1S/C7H13N3/c1-8-7(9-2)3-5-10-6-4-7/h3,5-6,8-9H,4H2,1-2H3
InChIKeyQJNLUNBGDFUULX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.11
Rot. Bonds2

About 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine

4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine (PubChem CID 86589049) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine.

Molecular Properties

Compound Name4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine
PubChem CID86589049
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine
SMILESCNC1(NC)C=CN=CC1
InChIInChI=1S/C7H13N3/c1-8-7(9-2)3-5-10-6-4-7/h3,5-6,8-9H,4H2,1-2H3
InChIKeyQJNLUNBGDFUULX-UHFFFAOYSA-N
XLogP0.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine?
The IUPAC name of 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine (CID 86589049) is 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine.
What is the SMILES notation for 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine?
The canonical SMILES for 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine is CNC1(NC)C=CN=CC1.
What is the InChIKey of 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine?
The InChIKey is QJNLUNBGDFUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-8-7(9-2)3-5-10-6-4-7/h3,5-6,8-9H,4H2,1-2H3.
What are the key properties of 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine?
4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N'-dimethyl-3H-pyridine-4,4-diamine is sourced from PubChem (CID 86589049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).