N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine

C11H16N4O2 — CID 18167036

IUPACN-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC(C1CC1)C1CC1
InChIInChI=1S/C11H16N4O2/c1-14-6-12-10(15(16)17)11(14)13-9(7-2-3-7)8-4-5-8/h6-9,13H,2-5H2,1H3
InChIKeyOWZGHKPDNPELLE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.93
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine

N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine (PubChem CID 18167036) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine
PubChem CID18167036
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NC(C1CC1)C1CC1
InChIInChI=1S/C11H16N4O2/c1-14-6-12-10(15(16)17)11(14)13-9(7-2-3-7)8-4-5-8/h6-9,13H,2-5H2,1H3
InChIKeyOWZGHKPDNPELLE-UHFFFAOYSA-N
XLogP1.93
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.93
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 N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine?
The IUPAC name of N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine (CID 18167036) is N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine is Cn1cnc([N+](=O)[O-])c1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine?
The InChIKey is OWZGHKPDNPELLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-6-12-10(15(16)17)11(14)13-9(7-2-3-7)8-4-5-8/h6-9,13H,2-5H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine?
N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine has a molecular weight of 236.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-methyl-5-nitroimidazol-4-amine is sourced from PubChem (CID 18167036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).