1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine

C14H18N2S — CID 62698680

IUPAC1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(C1CC1)C(CN)c1csc2ccccc12
InChIInChI=1S/C14H18N2S/c1-16(10-6-7-10)13(8-15)12-9-17-14-5-3-2-4-11(12)14/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyLFUZGGIRBVGLFJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.00
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine

1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 62698680) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID62698680
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(C1CC1)C(CN)c1csc2ccccc12
InChIInChI=1S/C14H18N2S/c1-16(10-6-7-10)13(8-15)12-9-17-14-5-3-2-4-11(12)14/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyLFUZGGIRBVGLFJ-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 62699057
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78991737
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 62698501
1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
CID 62699054
1-(1-benzothiophen-3-yl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 55225589
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165928
N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102992025
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62698310

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine (CID 62698680) is 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine is CN(C1CC1)C(CN)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is LFUZGGIRBVGLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-16(10-6-7-10)13(8-15)12-9-17-14-5-3-2-4-11(12)14/h2-5,9-10,13H,6-8,15H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine?
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 246.38 g/mol, XLogP of 3.00, 4 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-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 62698680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).