1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H21ClN2S — CID 43439067

IUPAC1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(NCC(C)(C)N(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-9(10-6-7-11(13)16-10)14-8-12(2,3)15(4)5/h6-7,9,14H,8H2,1-5H3
InChIKeyZPICERCTLKFEIT-UHFFFAOYSA-N
MW260.83 g/mol
LogP3.39
Rot. Bonds5

About 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43439067) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43439067
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(NCC(C)(C)N(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-9(10-6-7-11(13)16-10)14-8-12(2,3)15(4)5/h6-7,9,14H,8H2,1-5H3
InChIKeyZPICERCTLKFEIT-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine with MolForge

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115714106
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54954410
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43439067) is 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CC(NCC(C)(C)N(C)C)c1ccc(Cl)s1.
What is the InChIKey of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is ZPICERCTLKFEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-9(10-6-7-11(13)16-10)14-8-12(2,3)15(4)5/h6-7,9,14H,8H2,1-5H3.
What are the key properties of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 260.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43439067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).