1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine

C14H18N2S — CID 65386100

IUPAC1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1csc2ccccc12
InChIInChI=1S/C14H18N2S/c15-7-13(16-8-10-5-6-10)12-9-17-14-4-2-1-3-11(12)14/h1-4,9-10,13,16H,5-8,15H2
InChIKeyVOJCHACHRAWFAX-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.90
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine

1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine (PubChem CID 65386100) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
PubChem CID65386100
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1csc2ccccc12
InChIInChI=1S/C14H18N2S/c15-7-13(16-8-10-5-6-10)12-9-17-14-4-2-1-3-11(12)14/h1-4,9-10,13,16H,5-8,15H2
InChIKeyVOJCHACHRAWFAX-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-but-2-ynylethane-1,2-diamine
CID 113464571
5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
CID 107317019
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
3-(1-chloro-2-cyclopropylethyl)-1-benzothiophene
CID 63432700
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65377930
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162918
3-(1-benzothiophen-3-yl)-3-cyclopropylpropan-1-amine
CID 91516670
3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
CID 83176448

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine (CID 65386100) is 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine is NCC(NCC1CC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
The InChIKey is VOJCHACHRAWFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-7-13(16-8-10-5-6-10)12-9-17-14-4-2-1-3-11(12)14/h1-4,9-10,13,16H,5-8,15H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine?
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine has a molecular weight of 246.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65386100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).