2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol

C20H25NOS — CID 69339564

IUPAC2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1cccs1
InChIInChI=1S/C20H25NOS/c1-21(2)15-18-11-6-10-17(14-16-8-4-3-5-9-16)20(18,22)19-12-7-13-23-19/h3-5,7-9,12-14,18,22H,6,10-11,15H2,1-2H3
InChIKeyCWBHPNSZBFKXCG-UHFFFAOYSA-N
MW327.49 g/mol
LogP4.38
Rot. Bonds4

About 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol

2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol (PubChem CID 69339564) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol
PubChem CID69339564
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1cccs1
InChIInChI=1S/C20H25NOS/c1-21(2)15-18-11-6-10-17(14-16-8-4-3-5-9-16)20(18,22)19-12-7-13-23-19/h3-5,7-9,12-14,18,22H,6,10-11,15H2,1-2H3
InChIKeyCWBHPNSZBFKXCG-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol (CID 69339564) is 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol is CN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1cccs1.
What is the InChIKey of 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is CWBHPNSZBFKXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-21(2)15-18-11-6-10-17(14-16-8-4-3-5-9-16)20(18,22)19-12-7-13-23-19/h3-5,7-9,12-14,18,22H,6,10-11,15H2,1-2H3.
What are the key properties of 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol?
2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 327.49 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 69339564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).