N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide

C17H29NO — CID 134997837

IUPACN-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide
SMILESCC1=C(/C(C)=[N+](\[O-])C2CCCCC2)C(C)(C)CCC1
InChIInChI=1S/C17H29NO/c1-13-9-8-12-17(3,4)16(13)14(2)18(19)15-10-6-5-7-11-15/h15H,5-12H2,1-4H3/b18-14-
InChIKeyBHORGNHEENUKEQ-JXAWBTAJSA-N
MW263.42 g/mol
LogP4.82
Rot. Bonds2

About N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide

N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide (PubChem CID 134997837) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide
PubChem CID134997837
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide
SMILESCC1=C(/C(C)=[N+](\[O-])C2CCCCC2)C(C)(C)CCC1
InChIInChI=1S/C17H29NO/c1-13-9-8-12-17(3,4)16(13)14(2)18(19)15-10-6-5-7-11-15/h15H,5-12H2,1-4H3/b18-14-
InChIKeyBHORGNHEENUKEQ-JXAWBTAJSA-N
XLogP4.82
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(E)-N-cyclohexyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-imine oxide
CID 44517907
(E)-N-cyclohexyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-imine oxide
CID 177568752

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide?
The IUPAC name of N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide (CID 134997837) is N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide.
What is the SMILES notation for N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide?
The canonical SMILES for N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide is CC1=C(/C(C)=[N+](\[O-])C2CCCCC2)C(C)(C)CCC1.
What is the InChIKey of N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide?
The InChIKey is BHORGNHEENUKEQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-9-8-12-17(3,4)16(13)14(2)18(19)15-10-6-5-7-11-15/h15H,5-12H2,1-4H3/b18-14-.
What are the key properties of N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide?
N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide has a molecular weight of 263.42 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,6,6-trimethylcyclohexen-1-yl)ethanimine oxide is sourced from PubChem (CID 134997837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).