1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine

C10H17ClN2S — CID 116905875

IUPAC1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1ccc(Cl)s1)N(C)C
InChIInChI=1S/C10H17ClN2S/c1-4-12-7-8(13(2)3)9-5-6-10(11)14-9/h5-6,8,12H,4,7H2,1-3H3
InChIKeyRRKFRHZVZZMYKZ-UHFFFAOYSA-N
MW232.78 g/mol
LogP2.61
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine

1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 116905875) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
PubChem CID116905875
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1ccc(Cl)s1)N(C)C
InChIInChI=1S/C10H17ClN2S/c1-4-12-7-8(13(2)3)9-5-6-10(11)14-9/h5-6,8,12H,4,7H2,1-3H3
InChIKeyRRKFRHZVZZMYKZ-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115714106
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
CID 116913224
2-(5-chlorothiophen-2-yl)-2-fluoro-N-methylethanamine
CID 105425161
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 43146891
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 116905875) is 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCNCC(c1ccc(Cl)s1)N(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is RRKFRHZVZZMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-4-12-7-8(13(2)3)9-5-6-10(11)14-9/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 232.78 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116905875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).