N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine

C7H11ClN2S — CID 115226650

IUPACN'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1ccc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-9-5-10(2)7-4-3-6(8)11-7/h3-4,9H,5H2,1-2H3
InChIKeyHKXDVXDMKGJRAA-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.01
Rot. Bonds3

About N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine

N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine (PubChem CID 115226650) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
PubChem CID115226650
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC NameN'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1ccc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-9-5-10(2)7-4-3-6(8)11-7/h3-4,9H,5H2,1-2H3
InChIKeyHKXDVXDMKGJRAA-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201788
1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222109
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
CID 115229873
N-(5-chlorothiophen-2-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182952
1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242816
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661
3-amino-4-[(5-chlorothiophen-2-yl)-methylamino]butanoic acid
CID 115241562

Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine (CID 115226650) is N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine is CNCN(C)c1ccc(Cl)s1.
What is the InChIKey of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine?
The InChIKey is HKXDVXDMKGJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-9-5-10(2)7-4-3-6(8)11-7/h3-4,9H,5H2,1-2H3.
What are the key properties of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine?
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine has a molecular weight of 190.70 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).