(6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol

C24H37NO2 — CID 69340426

IUPAC(6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(/C=C2\CCCC(CN(C)C)C2(O)CC2CCCCC2)cc1
InChIInChI=1S/C24H37NO2/c1-25(2)18-22-11-7-10-21(16-19-12-14-23(27-3)15-13-19)24(22,26)17-20-8-5-4-6-9-20/h12-16,20,22,26H,4-11,17-18H2,1-3H3/b21-16+
InChIKeyHBAWNYRZZCRYRM-LTGZKZEYSA-N
MW371.56 g/mol
LogP5.14
Rot. Bonds6

About (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol

(6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (PubChem CID 69340426) has the molecular formula C24H37NO2 and a molecular weight of 371.56 g/mol. Its IUPAC name is (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
PubChem CID69340426
Molecular FormulaC24H37NO2
Molecular Weight371.56 g/mol
Exact Mass371.28
IUPAC Name(6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(/C=C2\CCCC(CN(C)C)C2(O)CC2CCCCC2)cc1
InChIInChI=1S/C24H37NO2/c1-25(2)18-22-11-7-10-21(16-19-12-14-23(27-3)15-13-19)24(22,26)17-20-8-5-4-6-9-20/h12-16,20,22,26H,4-11,17-18H2,1-3H3/b21-16+
InChIKeyHBAWNYRZZCRYRM-LTGZKZEYSA-N
XLogP5.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol with MolForge

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Related Compounds

1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol;2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 157378321
(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339642
(6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339937
1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 69338735
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 69340060
1-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 24942721
(6E)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]-1-thiophen-2-ylcyclohexan-1-ol
CID 69340465
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339801
1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340257
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 69339711
1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69339910
2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 69339709

Frequently Asked Questions

What is the IUPAC name of (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (CID 69340426) is (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is COc1ccc(/C=C2\CCCC(CN(C)C)C2(O)CC2CCCCC2)cc1.
What is the InChIKey of (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The InChIKey is HBAWNYRZZCRYRM-LTGZKZEYSA-N. The full InChI is InChI=1S/C24H37NO2/c1-25(2)18-22-11-7-10-21(16-19-12-14-23(27-3)15-13-19)24(22,26)17-20-8-5-4-6-9-20/h12-16,20,22,26H,4-11,17-18H2,1-3H3/b21-16+.
What are the key properties of (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
(6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol has a molecular weight of 371.56 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 69340426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).