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

C12H21BrN2S — CID 115255075

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C12H21BrN2S/c1-4-10(7-14-2)8-15(3)9-11-5-6-12(13)16-11/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyFHACFDKWYDINET-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.19
Rot. Bonds7

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

N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 115255075) has the molecular formula C12H21BrN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID115255075
Molecular FormulaC12H21BrN2S
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)Cc1ccc(Br)s1
InChIInChI=1S/C12H21BrN2S/c1-4-10(7-14-2)8-15(3)9-11-5-6-12(13)16-11/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyFHACFDKWYDINET-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 62332796
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
CID 79195708
1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246231
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
CID 115736745
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873746
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 40702203
2-N-[(5-bromothiophen-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109681
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine (CID 115255075) is N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine is CCC(CNC)CN(C)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is FHACFDKWYDINET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2S/c1-4-10(7-14-2)8-15(3)9-11-5-6-12(13)16-11/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 305.29 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115255075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).