2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine

C8H13ClN2S — CID 117039872

IUPAC2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-6(5-10)11(2)8-4-3-7(9)12-8/h3-4,6H,5,10H2,1-2H3
InChIKeyZBZHIJPQHNKNJH-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.18
Rot. Bonds3

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

2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 117039872) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine
PubChem CID117039872
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-6(5-10)11(2)8-4-3-7(9)12-8/h3-4,6H,5,10H2,1-2H3
InChIKeyZBZHIJPQHNKNJH-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
CID 119582214
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine (CID 117039872) is 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1ccc(Cl)s1.
What is the InChIKey of 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is ZBZHIJPQHNKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-6(5-10)11(2)8-4-3-7(9)12-8/h3-4,6H,5,10H2,1-2H3.
What are the key properties of 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine?
2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 204.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).