(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine

C13H23NO — CID 89059176

IUPAC(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CCC)C1CCCCC1
InChIInChI=1S/C13H23NO/c1-3-8-13(14-15-11-4-2)12-9-6-5-7-10-12/h4,12H,2-3,5-11H2,1H3/b14-13+
InChIKeyYLLTXRBEPGDCHQ-BUHFOSPRSA-N
MW209.33 g/mol
LogP3.93
Rot. Bonds6

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

(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine (PubChem CID 89059176) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine
PubChem CID89059176
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine
SMILESC=CCO/N=C(\CCC)C1CCCCC1
InChIInChI=1S/C13H23NO/c1-3-8-13(14-15-11-4-2)12-9-6-5-7-10-12/h4,12H,2-3,5-11H2,1H3/b14-13+
InChIKeyYLLTXRBEPGDCHQ-BUHFOSPRSA-N
XLogP3.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.93
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'}

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Related Compounds

O-ethenylvinylcyclohexanone oxime
CID 129789555
4-methyl-N-prop-2-enoxycyclohexan-1-imine
CID 13185044
(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-prop-2-enoxybutan-1-imine
CID 59351026
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
(E)-1-cyclopentyl-N-prop-2-enoxybutan-1-imine
CID 89059219
(E)-1-cyclopentyl-N-prop-2-enoxypropan-1-imine
CID 122659205
(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine
CID 122659228
(E)-1-cyclopentyl-3-methyl-N-prop-2-enoxybutan-1-imine
CID 129070261

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine?
The IUPAC name of (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine (CID 89059176) is (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine.
What is the SMILES notation for (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine?
The canonical SMILES for (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine is C=CCO/N=C(\CCC)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine?
The InChIKey is YLLTXRBEPGDCHQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-8-13(14-15-11-4-2)12-9-6-5-7-10-12/h4,12H,2-3,5-11H2,1H3/b14-13+.
What are the key properties of (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine?
(E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine has a molecular weight of 209.33 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-N-prop-2-enoxybutan-1-imine is sourced from PubChem (CID 89059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).