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

C11H19ClN2S — CID 62429792

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
SMILESCCNCC(C)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-4-13-7-9(2)14(3)8-10-5-6-11(12)15-10/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyHKPAFPZHORZVDV-UHFFFAOYSA-N
MW246.81 g/mol
LogP2.83
Rot. Bonds6

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

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine (PubChem CID 62429792) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
PubChem CID62429792
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
SMILESCCNCC(C)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2S/c1-4-13-7-9(2)14(3)8-10-5-6-11(12)15-10/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyHKPAFPZHORZVDV-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569774
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
1-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-diethylpropane-1,2-diamine
CID 115581225
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
1-(5-chlorothiophen-2-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905875
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
CID 62430146
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62413127

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine (CID 62429792) is 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine is CCNCC(C)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine?
The InChIKey is HKPAFPZHORZVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2S/c1-4-13-7-9(2)14(3)8-10-5-6-11(12)15-10/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine has a molecular weight of 246.81 g/mol, XLogP of 2.83, 6 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)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62429792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).