2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide

C14H23NO — CID 134876689

IUPAC2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide
SMILES[O-]/[N+](=C\CC1CC=CCC1)C1CCCCC1
InChIInChI=1S/C14H23NO/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3,12-14H,2,4-11H2/b15-12-
InChIKeyYDDAWXPFMVLPEP-QINSGFPZSA-N
MW221.34 g/mol
LogP3.65
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide

2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide (PubChem CID 134876689) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide
PubChem CID134876689
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide
SMILES[O-]/[N+](=C\CC1CC=CCC1)C1CCCCC1
InChIInChI=1S/C14H23NO/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3,12-14H,2,4-11H2/b15-12-
InChIKeyYDDAWXPFMVLPEP-QINSGFPZSA-N
XLogP3.65
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.65
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

N-tert-butyl-2-cyclohex-3-en-1-ylethanimine oxide
CID 134894817
(4aR)-1-oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
CID 138970054
(4aR,8aR)-1-oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
CID 162420089
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
N-cyclohexyl-1-cyclooct-4-en-1-ylmethanimine
CID 74046971
3,4,4a,5,8,8a-Hexahydroquinoline
CID 91259305
1-Oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
CID 145857575
2,4,7-trimethyl-N-propan-2-yloct-6-en-1-imine oxide
CID 166529726
3,7-dimethyl-N-propan-2-yloct-6-en-1-imine oxide
CID 170783231
N-tert-butyl-1-cyclohex-3-en-1-ylmethanimine oxide
CID 13033916

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide?
The IUPAC name of 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide (CID 134876689) is 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide is [O-]/[N+](=C\CC1CC=CCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide?
The InChIKey is YDDAWXPFMVLPEP-QINSGFPZSA-N. The full InChI is InChI=1S/C14H23NO/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3,12-14H,2,4-11H2/b15-12-.
What are the key properties of 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide?
2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide has a molecular weight of 221.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-N-cyclohexylethanimine oxide is sourced from PubChem (CID 134876689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).