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

C22H33NO2 — CID 69339937

IUPAC(6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(/C=C2\CCCC(CN(C)C)C2(O)C2CCCC2)cc1
InChIInChI=1S/C22H33NO2/c1-23(2)16-20-10-6-9-19(22(20,24)18-7-4-5-8-18)15-17-11-13-21(25-3)14-12-17/h11-15,18,20,24H,4-10,16H2,1-3H3/b19-15+
InChIKeyWFSNEOJXJUYRFT-XDJHFCHBSA-N
MW343.51 g/mol
LogP4.36
Rot. Bonds5

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

(6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (PubChem CID 69339937) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
PubChem CID69339937
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name(6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(/C=C2\CCCC(CN(C)C)C2(O)C2CCCC2)cc1
InChIInChI=1S/C22H33NO2/c1-23(2)16-20-10-6-9-19(22(20,24)18-7-4-5-8-18)15-17-11-13-21(25-3)14-12-17/h11-15,18,20,24H,4-10,16H2,1-3H3/b19-15+
InChIKeyWFSNEOJXJUYRFT-XDJHFCHBSA-N
XLogP4.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (CID 69339937) is (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is COc1ccc(/C=C2\CCCC(CN(C)C)C2(O)C2CCCC2)cc1.
What is the InChIKey of (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The InChIKey is WFSNEOJXJUYRFT-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H33NO2/c1-23(2)16-20-10-6-9-19(22(20,24)18-7-4-5-8-18)15-17-11-13-21(25-3)14-12-17/h11-15,18,20,24H,4-10,16H2,1-3H3/b19-15+.
What are the key properties of (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
(6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol has a molecular weight of 343.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 69339937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).