N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide

C12H18N4O2 — CID 11994709

IUPACN'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide
SMILESC/C(=N\CC(C)C)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N4O2/c1-9(2)8-13-10(3)14-15-11-4-6-12(7-5-11)16(17)18/h4-7,9,15H,8H2,1-3H3,(H,13,14)
InChIKeyOPMSMTMMZYEPJW-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.59
Rot. Bonds5

About N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide

N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide (PubChem CID 11994709) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide
PubChem CID11994709
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide
SMILESC/C(=N\CC(C)C)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H18N4O2/c1-9(2)8-13-10(3)14-15-11-4-6-12(7-5-11)16(17)18/h4-7,9,15H,8H2,1-3H3,(H,13,14)
InChIKeyOPMSMTMMZYEPJW-UHFFFAOYSA-N
XLogP2.59
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide 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

N'-hexadecyl-N-(4-nitroanilino)ethanimidamide
CID 3098812
1-(4-nitrophenyl)-2-propan-2-ylhydrazine
CID 101164865
N'-benzyl-N-(4-nitroanilino)benzenecarboximidamide
CID 3091805
2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
CID 117061946
(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
N'-methyl-N-(4-nitroanilino)benzenecarboximidamide
CID 14906458
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide
CID 143394748
N-cyano-N'-[1-(4-nitrophenyl)ethyl]ethanimidamide
CID 119088919
(4-nitrophenyl)methyl N-(4-nitroanilino)carbamodithioate
CID 15397959
2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
CID 71375183
trimethyl-[2-(4-nitroanilino)propyl]azanium iodide
CID 22155036

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide?
The IUPAC name of N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide (CID 11994709) is N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide.
What is the SMILES notation for N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide?
The canonical SMILES for N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide is C/C(=N\CC(C)C)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide?
The InChIKey is OPMSMTMMZYEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(2)8-13-10(3)14-15-11-4-6-12(7-5-11)16(17)18/h4-7,9,15H,8H2,1-3H3,(H,13,14).
What are the key properties of N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide?
N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide has a molecular weight of 250.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide is sourced from PubChem (CID 11994709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).