3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol

C20H29NO — CID 129283911

IUPAC3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol
SMILESC=CCc1ccc(/C=N/CC2(C)CC(O)CC(C)(C)C2)cc1
InChIInChI=1S/C20H29NO/c1-5-6-16-7-9-17(10-8-16)13-21-15-20(4)12-18(22)11-19(2,3)14-20/h5,7-10,13,18,22H,1,6,11-12,14-15H2,2-4H3/b21-13+
InChIKeyJEQKETKVLDSLAY-FYJGNVAPSA-N
MW299.46 g/mol
LogP4.41
Rot. Bonds5

About 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol

3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol (PubChem CID 129283911) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol
PubChem CID129283911
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol
SMILESC=CCc1ccc(/C=N/CC2(C)CC(O)CC(C)(C)C2)cc1
InChIInChI=1S/C20H29NO/c1-5-6-16-7-9-17(10-8-16)13-21-15-20(4)12-18(22)11-19(2,3)14-20/h5,7-10,13,18,22H,1,6,11-12,14-15H2,2-4H3/b21-13+
InChIKeyJEQKETKVLDSLAY-FYJGNVAPSA-N
XLogP4.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol (CID 129283911) is 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol is C=CCc1ccc(/C=N/CC2(C)CC(O)CC(C)(C)C2)cc1.
What is the InChIKey of 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
The InChIKey is JEQKETKVLDSLAY-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H29NO/c1-5-6-16-7-9-17(10-8-16)13-21-15-20(4)12-18(22)11-19(2,3)14-20/h5,7-10,13,18,22H,1,6,11-12,14-15H2,2-4H3/b21-13+.
What are the key properties of 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 129283911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).