2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine

C14H20N2S — CID 82944902

IUPAC2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1csc2ccccc12
InChIInChI=1S/C14H20N2S/c1-11(9-16(2)3)15-8-12-10-17-14-7-5-4-6-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyGGRPMHBIUVLPDB-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.94
Rot. Bonds5

About 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82944902) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82944902
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1csc2ccccc12
InChIInChI=1S/C14H20N2S/c1-11(9-16(2)3)15-8-12-10-17-14-7-5-4-6-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyGGRPMHBIUVLPDB-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-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

2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62697930
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
N-(1-benzothiophen-3-ylmethyl)pent-4-en-2-amine
CID 115633123
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 78921839
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
CID 81353422
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82944902) is 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NCc1csc2ccccc12.
What is the InChIKey of 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is GGRPMHBIUVLPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11(9-16(2)3)15-8-12-10-17-14-7-5-4-6-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 248.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82944902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).