N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide

C12H21NO — CID 134894817

IUPACN-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/CC1CC=CCC1
InChIInChI=1S/C12H21NO/c1-12(2,3)13(14)10-9-11-7-5-4-6-8-11/h4-5,10-11H,6-9H2,1-3H3/b13-10-
InChIKeyONVYSTMSENHELG-RAXLEYEMSA-N
MW195.31 g/mol
LogP3.11
Rot. Bonds2

About N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide

N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide (PubChem CID 134894817) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide
PubChem CID134894817
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/CC1CC=CCC1
InChIInChI=1S/C12H21NO/c1-12(2,3)13(14)10-9-11-7-5-4-6-8-11/h4-5,10-11H,6-9H2,1-3H3/b13-10-
InChIKeyONVYSTMSENHELG-RAXLEYEMSA-N
XLogP3.11
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide 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 N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide?
The IUPAC name of N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide (CID 134894817) is N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide.
What is the SMILES notation for N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide?
The canonical SMILES for N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide is CC(C)(C)/[N+]([O-])=C/CC1CC=CCC1.
What is the InChIKey of N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide?
The InChIKey is ONVYSTMSENHELG-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)13(14)10-9-11-7-5-4-6-8-11/h4-5,10-11H,6-9H2,1-3H3/b13-10-.
What are the key properties of N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide?
N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide has a molecular weight of 195.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide is sourced from PubChem (CID 134894817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).