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

C11H18N4O2 — CID 18095160

IUPAC3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine
SMILESCC1CCCCC1Nc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C11H18N4O2/c1-8-5-3-4-6-9(8)13-11-10(15(16)17)12-7-14(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyAZRICYPGGSGXOC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.32
Rot. Bonds3

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

3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine (PubChem CID 18095160) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine
PubChem CID18095160
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine
SMILESCC1CCCCC1Nc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C11H18N4O2/c1-8-5-3-4-6-9(8)13-11-10(15(16)17)12-7-14(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyAZRICYPGGSGXOC-UHFFFAOYSA-N
XLogP2.32
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine?
The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine (CID 18095160) is 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine is CC1CCCCC1Nc1c([N+](=O)[O-])ncn1C.
What is the InChIKey of 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine?
The InChIKey is AZRICYPGGSGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-5-3-4-6-9(8)13-11-10(15(16)17)12-7-14(11)2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine?
3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexyl)-5-nitroimidazol-4-amine is sourced from PubChem (CID 18095160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).