[3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium

C13H25N2O+ — CID 4603885

IUPAC[3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium
SMILESCC1=C(NO)C(C[NH+](C)C)C2CC1C2(C)C
InChIInChI=1S/C13H24N2O/c1-8-10-6-11(13(10,2)3)9(7-15(4)5)12(8)14-16/h9-11,14,16H,6-7H2,1-5H3/p+1
InChIKeyWDAKXSUORLTNRI-UHFFFAOYSA-O
MW225.36 g/mol
LogP0.68
Rot. Bonds3

About [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium

[3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium (PubChem CID 4603885) has the molecular formula C13H25N2O+ and a molecular weight of 225.36 g/mol. Its IUPAC name is [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium
PubChem CID4603885
Molecular FormulaC13H25N2O+
Molecular Weight225.36 g/mol
Exact Mass225.20
IUPAC Name[3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium
SMILESCC1=C(NO)C(C[NH+](C)C)C2CC1C2(C)C
InChIInChI=1S/C13H24N2O/c1-8-10-6-11(13(10,2)3)9(7-15(4)5)12(8)14-16/h9-11,14,16H,6-7H2,1-5H3/p+1
InChIKeyWDAKXSUORLTNRI-UHFFFAOYSA-O
XLogP0.68
TPSA36.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium?
The IUPAC name of [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium (CID 4603885) is [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium.
What is the SMILES notation for [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium?
The canonical SMILES for [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium is CC1=C(NO)C(C[NH+](C)C)C2CC1C2(C)C.
What is the InChIKey of [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium?
The InChIKey is WDAKXSUORLTNRI-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N2O/c1-8-10-6-11(13(10,2)3)9(7-15(4)5)12(8)14-16/h9-11,14,16H,6-7H2,1-5H3/p+1.
What are the key properties of [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium?
[3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium has a molecular weight of 225.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxyamino)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl]methyl-dimethylazanium is sourced from PubChem (CID 4603885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).