N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine

C10H16N4O2 — CID 115591461

IUPACN-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine
SMILESCC(CNc1c([N+](=O)[O-])ncn1C)C1CC1
InChIInChI=1S/C10H16N4O2/c1-7(8-3-4-8)5-11-9-10(14(15)16)12-6-13(9)2/h6-8,11H,3-5H2,1-2H3
InChIKeyVJRGNAQLEUNSDT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.79
Rot. Bonds5

About N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine

N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine (PubChem CID 115591461) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine
PubChem CID115591461
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine
SMILESCC(CNc1c([N+](=O)[O-])ncn1C)C1CC1
InChIInChI=1S/C10H16N4O2/c1-7(8-3-4-8)5-11-9-10(14(15)16)12-6-13(9)2/h6-8,11H,3-5H2,1-2H3
InChIKeyVJRGNAQLEUNSDT-UHFFFAOYSA-N
XLogP1.79
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine 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,2-dimethyl-N'-(3-methyl-5-nitroimidazol-4-yl)propane-1,3-diamine
CID 115303046
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitroimidazol-4-amine
CID 61012461
N-[(2R)-2-(azepan-1-yl)-3-methylbutyl]-3-methyl-5-nitroimidazol-4-amine
CID 31657542
2-cyclopropyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]acetic acid
CID 62696940
3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-5-nitroimidazol-4-amine
CID 18156199
3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitroimidazol-4-amine
CID 42943744
N'-(3-methyl-5-nitroimidazol-4-yl)-1-phenylethane-1,2-diamine
CID 63120938
N-butan-2-yl-3-methyl-5-nitroimidazol-4-amine
CID 43395607
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
N-[2-(cyclopropylmethoxy)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 113233506
N-but-2-ynyl-3-methyl-5-nitroimidazol-4-amine
CID 115903968
N-(3-methyl-5-nitroimidazol-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 18095502

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine (CID 115591461) is N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine is CC(CNc1c([N+](=O)[O-])ncn1C)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine?
The InChIKey is VJRGNAQLEUNSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(8-3-4-8)5-11-9-10(14(15)16)12-6-13(9)2/h6-8,11H,3-5H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine?
N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine has a molecular weight of 224.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine is sourced from PubChem (CID 115591461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).