2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine

C12H18N4O2 — CID 113283619

IUPAC2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
SMILESCc1ccc([N+](=O)[O-])c(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-3-6-10(16(17)18)11(14-8)15-12(2,7-13)9-4-5-9/h3,6,9H,4-5,7,13H2,1-2H3,(H,14,15)
InChIKeyZJZQIANLGOZPSN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.84
Rot. Bonds5

About 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine

2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine (PubChem CID 113283619) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
PubChem CID113283619
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
SMILESCc1ccc([N+](=O)[O-])c(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-3-6-10(16(17)18)11(14-8)15-12(2,7-13)9-4-5-9/h3,6,9H,4-5,7,13H2,1-2H3,(H,14,15)
InChIKeyZJZQIANLGOZPSN-UHFFFAOYSA-N
XLogP1.84
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine (CID 113283619) is 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine is Cc1ccc([N+](=O)[O-])c(NC(C)(CN)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
The InChIKey is ZJZQIANLGOZPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-3-6-10(16(17)18)11(14-8)15-12(2,7-13)9-4-5-9/h3,6,9H,4-5,7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine?
2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine has a molecular weight of 250.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 113283619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).