1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine

C12H21BrN2S — CID 116905818

IUPAC1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
SMILESCN(C)C(CCC(C)(C)N)c1cc(Br)cs1
InChIInChI=1S/C12H21BrN2S/c1-12(2,14)6-5-10(15(3)4)11-7-9(13)8-16-11/h7-8,10H,5-6,14H2,1-4H3
InChIKeyFTBQNDCASHBBGB-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine

1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine (PubChem CID 116905818) has the molecular formula C12H21BrN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
PubChem CID116905818
Molecular FormulaC12H21BrN2S
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
SMILESCN(C)C(CCC(C)(C)N)c1cc(Br)cs1
InChIInChI=1S/C12H21BrN2S/c1-12(2,14)6-5-10(15(3)4)11-7-9(13)8-16-11/h7-8,10H,5-6,14H2,1-4H3
InChIKeyFTBQNDCASHBBGB-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905160
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
1-(4-bromothiophen-2-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905682
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765
[1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105222605
N'-[1-(4-bromothiophen-2-yl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 107355042
3-(4-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910433
4-(4-bromothiophen-2-yl)-4-(dimethylamino)-3,3-dimethylbutanoic acid
CID 116908210
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine
CID 116905819
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine (CID 116905818) is 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine is CN(C)C(CCC(C)(C)N)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The InChIKey is FTBQNDCASHBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2S/c1-12(2,14)6-5-10(15(3)4)11-7-9(13)8-16-11/h7-8,10H,5-6,14H2,1-4H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine has a molecular weight of 305.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine is sourced from PubChem (CID 116905818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).