N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

C12H21BrN2S — CID 28833335

IUPACN-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cc(Br)cs1
InChIInChI=1S/C12H21BrN2S/c1-12(2,9-15(3)4)8-14-6-11-5-10(13)7-16-11/h5,7,14H,6,8-9H2,1-4H3
InChIKeyGYXTUDDBLVCTPI-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.19
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 28833335) has the molecular formula C12H21BrN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID28833335
Molecular FormulaC12H21BrN2S
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cc(Br)cs1
InChIInChI=1S/C12H21BrN2S/c1-12(2,9-15(3)4)8-14-6-11-5-10(13)7-16-11/h5,7,14H,6,8-9H2,1-4H3
InChIKeyGYXTUDDBLVCTPI-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
CID 43392242
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]thiophene-3-carboxylic acid
CID 106145745
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine
CID 62578173
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 55137613
N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758883
3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926272
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 62561559
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43220886
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581259
(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
CID 163224948
N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60590203

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 28833335) is N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is GYXTUDDBLVCTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2S/c1-12(2,9-15(3)4)8-14-6-11-5-10(13)7-16-11/h5,7,14H,6,8-9H2,1-4H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 305.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 28833335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).