2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine

C13H19N3O2 — CID 115553955

IUPAC2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine
SMILESCc1cccc([N+](=O)[O-])c1NC(C)(CN)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9-4-3-5-11(16(17)18)12(9)15-13(2,8-14)10-6-7-10/h3-5,10,15H,6-8,14H2,1-2H3
InChIKeyFEGZZHWLNUCGOJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine

2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine (PubChem CID 115553955) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine
PubChem CID115553955
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine
SMILESCc1cccc([N+](=O)[O-])c1NC(C)(CN)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9-4-3-5-11(16(17)18)12(9)15-13(2,8-14)10-6-7-10/h3-5,10,15H,6-8,14H2,1-2H3
InChIKeyFEGZZHWLNUCGOJ-UHFFFAOYSA-N
XLogP2.44
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methyl-6-nitrophenyl)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

Related Compounds

2-cyclopropyl-2-N-(3-methyl-4-nitrophenyl)propane-1,2-diamine
CID 115308242
2-ethyl-2-N-(2-methyl-6-nitrophenyl)butane-1,2-diamine
CID 115553875
2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 113283619
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-nitrobenzamide
CID 81486449
N-(2-cyclopropylethyl)-2-methyl-6-nitroaniline
CID 79033691
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119572208
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-nitrobenzonitrile
CID 115308161
2-methyl-N-(2-methylpentan-2-yl)-6-nitroaniline
CID 113471825
2-methyl-N-(2-methylbut-3-yn-2-yl)-6-nitroaniline
CID 115551470
2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
CID 115308115
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-3-nitrobenzamide
CID 115308107

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine (CID 115553955) is 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine is Cc1cccc([N+](=O)[O-])c1NC(C)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine?
The InChIKey is FEGZZHWLNUCGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-3-5-11(16(17)18)12(9)15-13(2,8-14)10-6-7-10/h3-5,10,15H,6-8,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine?
2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine has a molecular weight of 249.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(2-methyl-6-nitrophenyl)propane-1,2-diamine is sourced from PubChem (CID 115553955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).