(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine

C15H27NO — CID 59351026

IUPAC(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-5-11-17-16-14(12-15(2,3)4)13-9-7-6-8-10-13/h5,13H,1,6-12H2,2-4H3/b16-14+
InChIKeyXSZXTOKJIHHFMS-JQIJEIRASA-N
MW237.39 g/mol
LogP4.56
Rot. Bonds5

About (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine

(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine (PubChem CID 59351026) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
PubChem CID59351026
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-5-11-17-16-14(12-15(2,3)4)13-9-7-6-8-10-13/h5,13H,1,6-12H2,2-4H3/b16-14+
InChIKeyXSZXTOKJIHHFMS-JQIJEIRASA-N
XLogP4.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine with MolForge

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

Launch Full Analysis

Related Compounds

4,7,7-Trimethylbicyclo[2.2.1]heptan-2-one O-allyloxime
CID 9601368
4-methyl-N-prop-2-enoxycyclohexan-1-imine
CID 13185044
(E)-1,7,7-trimethyl-N-prop-2-enoxybicyclo[2.2.1]heptan-2-imine
CID 13851521
(+/-)-2-(Allyloxyimino)-1,7,7-trimethyl-bicyclo(2.2.1)heptane
CID 54228190
(E)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59350988
(Z)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59350993
(Z)-1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 59351009
(E)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine
CID 59351025
(Z)-1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine
CID 59351033
1-cyclopentyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 72268085
1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine
CID 72268089
1-cyclohexyl-3,3-dimethyl-N-propoxybutan-1-imine
CID 72268100

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The IUPAC name of (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine (CID 59351026) is (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine.
What is the SMILES notation for (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The canonical SMILES for (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine is C=CCO/N=C(\CC(C)(C)C)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
The InChIKey is XSZXTOKJIHHFMS-JQIJEIRASA-N. The full InChI is InChI=1S/C15H27NO/c1-5-11-17-16-14(12-15(2,3)4)13-9-7-6-8-10-13/h5,13H,1,6-12H2,2-4H3/b16-14+.
What are the key properties of (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine?
(E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine has a molecular weight of 237.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3,3-dimethyl-N-prop-2-enoxybutan-1-imine is sourced from PubChem (CID 59351026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).