N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide

C11H19NO — CID 13033916

IUPACN-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/C1CC=CCC1
InChIInChI=1S/C11H19NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-5,9-10H,6-8H2,1-3H3/b12-9-
InChIKeyJLFPCJXEWUIDMD-XFXZXTDPSA-N
MW181.28 g/mol
LogP2.72
Rot. Bonds1

About N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide

N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide (PubChem CID 13033916) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide
PubChem CID13033916
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/C1CC=CCC1
InChIInChI=1S/C11H19NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-5,9-10H,6-8H2,1-3H3/b12-9-
InChIKeyJLFPCJXEWUIDMD-XFXZXTDPSA-N
XLogP2.72
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.72
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'}

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Related Compounds

2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide
CID 134876689
N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide
CID 134894817
N-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
N,4-dimethyloct-6-en-1-imine
CID 91168305
1-Oxido-2,2-dipropylpyrrol-1-ium
CID 140031843
N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide
CID 166529723
2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide
CID 166529726
N-propan-2-yl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine oxide
CID 166529728
2,6-dimethyl-N-propan-2-ylhept-5-en-1-imine oxide
CID 170783221
3,7-dimethyl-N-propan-2-yloct-6-en-1-imine oxide
CID 170783231
1-(2,4-dimethylcyclohex-3-en-1-yl)-N-propan-2-ylmethanimine oxide
CID 170783280
2,6-dimethyl-N-propan-2-ylhept-5-en-1-imine oxide
CID 170783293

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide?
The IUPAC name of N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide (CID 13033916) is N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide.
What is the SMILES notation for N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide?
The canonical SMILES for N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide is CC(C)(C)/[N+]([O-])=C/C1CC=CCC1.
What is the InChIKey of N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide?
The InChIKey is JLFPCJXEWUIDMD-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-5,9-10H,6-8H2,1-3H3/b12-9-.
What are the key properties of N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide?
N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide has a molecular weight of 181.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide is sourced from PubChem (CID 13033916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).