N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine

C10H17ClN2S — CID 115201788

IUPACN'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2S/c1-12-7-3-4-8-13(2)10-6-5-9(11)14-10/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyQNQHDYPFUGTUSS-UHFFFAOYSA-N
MW232.78 g/mol
LogP2.84
Rot. Bonds6

About N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine

N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115201788) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID115201788
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC NameN'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2S/c1-12-7-3-4-8-13(2)10-6-5-9(11)14-10/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeyQNQHDYPFUGTUSS-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650
1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222109
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768
3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
CID 117032644
5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
CID 115201088
2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 174469175
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

Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine (CID 115201788) is N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)c1ccc(Cl)s1.
What is the InChIKey of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is QNQHDYPFUGTUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-12-7-3-4-8-13(2)10-6-5-9(11)14-10/h5-6,12H,3-4,7-8H2,1-2H3.
What are the key properties of N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine?
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 232.78 g/mol, XLogP of 2.84, 6 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'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115201788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).