1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol

C23H29NO — CID 69339910

IUPAC1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)Cc1ccccc1
InChIInChI=1S/C23H29NO/c1-24(2)18-22-15-9-14-21(16-19-10-5-3-6-11-19)23(22,25)17-20-12-7-4-8-13-20/h3-8,10-13,16,22,25H,9,14-15,17-18H2,1-2H3
InChIKeyMVWKNUMRUVEZEE-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.41
Rot. Bonds5

About 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol

1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 69339910) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID69339910
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)Cc1ccccc1
InChIInChI=1S/C23H29NO/c1-24(2)18-22-15-9-14-21(16-19-10-5-3-6-11-19)23(22,25)17-20-12-7-4-8-13-20/h3-8,10-13,16,22,25H,9,14-15,17-18H2,1-2H3
InChIKeyMVWKNUMRUVEZEE-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339642
2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 69339651
1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340257
2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 69339698
2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
CID 69338917
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 69340060
1-benzyl-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol;1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 158676866
(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol
CID 10290981
2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol
CID 69339564
(6E)-1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339889
2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69340184
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 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol (CID 69339910) is 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CCCC(=Cc2ccccc2)C1(O)Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is MVWKNUMRUVEZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-24(2)18-22-15-9-14-21(16-19-10-5-3-6-11-19)23(22,25)17-20-12-7-4-8-13-20/h3-8,10-13,16,22,25H,9,14-15,17-18H2,1-2H3.
What are the key properties of 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol?
1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 335.49 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 1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 69339910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).