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

C48H68N2O5 — CID 157378321

IUPAC1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol;2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(C=C2CCCC(CN(C)C)C2(O)CC2CCCCC2)cc1.COc1ccc(C=C2CCCC(CN(C)C)C2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31NO3.C24H37NO2/c1-25(2)17-21-7-5-6-20(16-18-8-12-22(27-3)13-9-18)24(21,26)19-10-14-23(28-4)15-11-19;1-25(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/h8-16,21,26H,5-7,17H2,1-4H3;12-16,20,22,26H,4-11,17-18H2,1-3H3
InChIKeyBKOQSINVIDCGMZ-UHFFFAOYSA-N
MW753.08 g/mol
LogP9.48
Rot. Bonds12

About 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

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 (PubChem CID 157378321) has the molecular formula C48H68N2O5 and a molecular weight of 753.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol;2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
PubChem CID157378321
Molecular FormulaC48H68N2O5
Molecular Weight753.08 g/mol
Exact Mass752.51
IUPAC Name1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol;2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(C=C2CCCC(CN(C)C)C2(O)CC2CCCCC2)cc1.COc1ccc(C=C2CCCC(CN(C)C)C2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31NO3.C24H37NO2/c1-25(2)17-21-7-5-6-20(16-18-8-12-22(27-3)13-9-18)24(21,26)19-10-14-23(28-4)15-11-19;1-25(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/h8-16,21,26H,5-7,17H2,1-4H3;12-16,20,22,26H,4-11,17-18H2,1-3H3
InChIKeyBKOQSINVIDCGMZ-UHFFFAOYSA-N
XLogP9.48
TPSA74.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.08
LogP ≤ 59.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

(6E)-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340426
1-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 24942721
2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69340184
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339801
(6E)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]-1-thiophen-2-ylcyclohexan-1-ol
CID 69340465
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 69339711
(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
2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
CID 69338917
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 69339607
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C=C2CCCC(CN(C)C)C2(O)CC2CCCCC2)cc1.COc1ccc(C=C2CCCC(CN(C)C)C2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BKOQSINVIDCGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3.C24H37NO2/c1-25(2)17-21-7-5-6-20(16-18-8-12-22(27-3)13-9-18)24(21,26)19-10-14-23(28-4)15-11-19;1-25(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/h8-16,21,26H,5-7,17H2,1-4H3;12-16,20,22,26H,4-11,17-18H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 753.08 g/mol, XLogP of 9.48, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157378321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).