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

C12H21ClN2S — CID 115133007

IUPAC2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-12(2,9-14-3)15(4)8-7-10-5-6-11(13)16-10/h5-6,14H,7-9H2,1-4H3
InChIKeyJDGIMGHITNAWQS-UHFFFAOYSA-N
MW260.83 g/mol
LogP2.87
Rot. Bonds6

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

2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115133007) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115133007
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-12(2,9-14-3)15(4)8-7-10-5-6-11(13)16-10/h5-6,14H,7-9H2,1-4H3
InChIKeyJDGIMGHITNAWQS-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132808
N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
CID 115226192
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120093
1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115133017
2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133037
4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
CID 82126271
2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
CID 115120936
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139413
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115133007) is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)CCc1ccc(Cl)s1.
What is the InChIKey of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is JDGIMGHITNAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-12(2,9-14-3)15(4)8-7-10-5-6-11(13)16-10/h5-6,14H,7-9H2,1-4H3.
What are the key properties of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 260.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115133007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).