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

C12H21NO — CID 122659228

IUPAC(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine
SMILESC=CCO/N=C(\CC)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-10-14-13-12(4-2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3/b13-12+
InChIKeyYCUCFXZFMOTLCG-OUKQBFOZSA-N
MW195.31 g/mol
LogP3.54
Rot. Bonds5

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

(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine (PubChem CID 122659228) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine
PubChem CID122659228
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine
SMILESC=CCO/N=C(\CC)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-10-14-13-12(4-2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3/b13-12+
InChIKeyYCUCFXZFMOTLCG-OUKQBFOZSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine?
The IUPAC name of (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine (CID 122659228) is (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine.
What is the SMILES notation for (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine?
The canonical SMILES for (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine is C=CCO/N=C(\CC)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine?
The InChIKey is YCUCFXZFMOTLCG-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-10-14-13-12(4-2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3/b13-12+.
What are the key properties of (E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine?
(E)-1-cyclohexyl-N-prop-2-enoxypropan-1-imine has a molecular weight of 195.31 g/mol, XLogP of 3.54, 5 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-enoxypropan-1-imine is sourced from PubChem (CID 122659228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).