1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine

C14H20N2S — CID 62699054

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1csc2ccccc12
InChIInChI=1S/C14H20N2S/c1-3-8-16(2)13(9-15)12-10-17-14-7-5-4-6-11(12)14/h4-7,10,13H,3,8-9,15H2,1-2H3
InChIKeyPTZMWDQBHVVLHD-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.24
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine

1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine (PubChem CID 62699054) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
PubChem CID62699054
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1csc2ccccc12
InChIInChI=1S/C14H20N2S/c1-3-8-16(2)13(9-15)12-10-17-14-7-5-4-6-11(12)14/h4-7,10,13H,3,8-9,15H2,1-2H3
InChIKeyPTZMWDQBHVVLHD-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 55225589
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 62698501
N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102992025
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
CID 62698680
1-(1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62698310
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78991737
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688
1-(1-benzothiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 62699057
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine (CID 62699054) is 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine is CCCN(C)C(CN)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine?
The InChIKey is PTZMWDQBHVVLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-8-16(2)13(9-15)12-10-17-14-7-5-4-6-11(12)14/h4-7,10,13H,3,8-9,15H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine?
1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine has a molecular weight of 248.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62699054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).