4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine

C23H28N2S — CID 69337422

IUPAC4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1(Cc2ccccc2)CCC(Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C23H28N2S/c1-25(2)23(17-18-6-4-3-5-7-18)13-10-20(11-14-23)24-21-8-9-22-19(16-21)12-15-26-22/h3-9,12,15-16,20,24H,10-11,13-14,17H2,1-2H3
InChIKeyLYJZJYOOQHNIPY-UHFFFAOYSA-N
MW364.56 g/mol
LogP5.80
Rot. Bonds5

About 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine

4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine (PubChem CID 69337422) has the molecular formula C23H28N2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine
PubChem CID69337422
Molecular FormulaC23H28N2S
Molecular Weight364.56 g/mol
Exact Mass364.20
IUPAC Name4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1(Cc2ccccc2)CCC(Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C23H28N2S/c1-25(2)23(17-18-6-4-3-5-7-18)13-10-20(11-14-23)24-21-8-9-22-19(16-21)12-15-26-22/h3-9,12,15-16,20,24H,10-11,13-14,17H2,1-2H3
InChIKeyLYJZJYOOQHNIPY-UHFFFAOYSA-N
XLogP5.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Benzo[b]thiophen-7-yl)piperazine
CID 11988373
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine
CID 44467960
3-ethyl-N-[[5-[(3-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155514419
3-methyl-N-[[5-[(3-methylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155521522
N-phenyl dibenzothiophen-2-amine
CID 66837789
N-methyl-N-phenyldibenzothiophen-2-amine
CID 90181893
3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 46228260
N-hexyldibenzothiophen-2-amine
CID 168269134
N-ethyldibenzothiophen-2-amine
CID 168280163
N,N-diethyldibenzothiophen-2-amine
CID 168287033
N-cyclohexyldibenzothiophen-2-amine
CID 168292525
1-(1-Benzothiophen-3-ylmethyl)-3-[4-(dimethylamino)phenyl]thiourea
CID 2826135

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine (CID 69337422) is 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine is CN(C)C1(Cc2ccccc2)CCC(Nc2ccc3sccc3c2)CC1.
What is the InChIKey of 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is LYJZJYOOQHNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2S/c1-25(2)23(17-18-6-4-3-5-7-18)13-10-20(11-14-23)24-21-8-9-22-19(16-21)12-15-26-22/h3-9,12,15-16,20,24H,10-11,13-14,17H2,1-2H3.
What are the key properties of 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine?
4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 364.56 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzothiophen-5-yl)-1-benzyl-1-N,1-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 69337422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).