N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

C10H16Cl2N2S — CID 107961596

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc(Cl)sc1Cl
InChIInChI=1S/C10H16Cl2N2S/c1-14(2)5-3-4-13-7-8-6-9(11)15-10(8)12/h6,13H,3-5,7H2,1-2H3
InChIKeyGQTOKJSJNDFKJY-UHFFFAOYSA-N
MW267.22 g/mol
LogP3.10
Rot. Bonds6

About N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 107961596) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID107961596
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc(Cl)sc1Cl
InChIInChI=1S/C10H16Cl2N2S/c1-14(2)5-3-4-13-7-8-6-9(11)15-10(8)12/h6,13H,3-5,7H2,1-2H3
InChIKeyGQTOKJSJNDFKJY-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 53.10
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-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
N'-[(2,5-dichlorothiophen-3-yl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114021220
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine
CID 65306195
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718954
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
N-[(3-chloro-5-fluorophenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 114452806

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 107961596) is N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is GQTOKJSJNDFKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2S/c1-14(2)5-3-4-13-7-8-6-9(11)15-10(8)12/h6,13H,3-5,7H2,1-2H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 267.22 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 107961596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).