N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine

C12H21ClN2S — CID 43146891

IUPACN-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-3-5-8-15(4-2)10(9-14)11-6-7-12(13)16-11/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKeyOXAUMRHYNLRRBF-UHFFFAOYSA-N
MW260.83 g/mol
LogP3.52
Rot. Bonds7

About N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine

N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine (PubChem CID 43146891) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
PubChem CID43146891
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC NameN-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-3-5-8-15(4-2)10(9-14)11-6-7-12(13)16-11/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKeyOXAUMRHYNLRRBF-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-(Azepan-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 16461932
((5-Chlorothiophen-2-yl)methyl)(ethyl)amine
CID 2450168
1-[(5-Chlorothiophen-2-yl)methyl]piperazine
CID 2455012
[(5-Chlorothiophen-2-yl)methyl](methyl)amine
CID 2564750
N,N-Dimethyl-N'-(thien-2-ylmethyl)ethane-1,2-diamine
CID 3154216
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(5-Chloro-2-thienyl)pyrrolidine
CID 4305829
(2-Amino-2-(thiophen-2-yl)ethyl)dimethylamine
CID 16228092
1-(5-Chlorothiophen-2-yl)propan-1-amine
CID 17249036

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine (CID 43146891) is N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine is CCCCN(CC)C(CN)c1ccc(Cl)s1.
What is the InChIKey of N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine?
The InChIKey is OXAUMRHYNLRRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-3-5-8-15(4-2)10(9-14)11-6-7-12(13)16-11/h6-7,10H,3-5,8-9,14H2,1-2H3.
What are the key properties of N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine?
N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine has a molecular weight of 260.83 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43146891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).