2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine

C7H13N3 — CID 55298777

IUPAC2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine
SMILESCNC1(NC)C=CC=CN1
InChIInChI=1S/C7H13N3/c1-8-7(9-2)5-3-4-6-10-7/h3-6,8-10H,1-2H3
InChIKeyUSQBHFQIHSGCMU-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.25
Rot. Bonds2

About 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine

2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine (PubChem CID 55298777) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine
PubChem CID55298777
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine
SMILESCNC1(NC)C=CC=CN1
InChIInChI=1S/C7H13N3/c1-8-7(9-2)5-3-4-6-10-7/h3-6,8-10H,1-2H3
InChIKeyUSQBHFQIHSGCMU-UHFFFAOYSA-N
XLogP-0.25
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
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 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine?
The IUPAC name of 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine (CID 55298777) is 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine?
The canonical SMILES for 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine is CNC1(NC)C=CC=CN1.
What is the InChIKey of 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine?
The InChIKey is USQBHFQIHSGCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-8-7(9-2)5-3-4-6-10-7/h3-6,8-10H,1-2H3.
What are the key properties of 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine?
2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine has a molecular weight of 139.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine is sourced from PubChem (CID 55298777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).