N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine

C11H14N2S — CID 115226761

IUPACN'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1csc2ccccc12
InChIInChI=1S/C11H14N2S/c1-12-8-13(2)10-7-14-11-6-4-3-5-9(10)11/h3-7,12H,8H2,1-2H3
InChIKeyPHNFQYPQRBZHLO-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.51
Rot. Bonds3

About N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine

N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine (PubChem CID 115226761) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
PubChem CID115226761
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1csc2ccccc12
InChIInChI=1S/C11H14N2S/c1-12-8-13(2)10-7-14-11-6-4-3-5-9(10)11/h3-7,12H,8H2,1-2H3
InChIKeyPHNFQYPQRBZHLO-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine 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

N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide
CID 115151908
4-[1-benzothiophen-3-yl(methyl)amino]butan-2-one
CID 115235591
N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
CID 115139778
N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204843
1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
CID 117039948
2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
N'-(2-bromophenyl)-N,N'-dimethylmethanediamine
CID 115226768
3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 79830281
2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
CID 115186945
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944902
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine (CID 115226761) is N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine is CNCN(C)c1csc2ccccc12.
What is the InChIKey of N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine?
The InChIKey is PHNFQYPQRBZHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-12-8-13(2)10-7-14-11-6-4-3-5-9(10)11/h3-7,12H,8H2,1-2H3.
What are the key properties of N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine?
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine has a molecular weight of 206.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).