1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

C12H21BrN2S — CID 116913500

IUPAC1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccc(Br)s1)N(C)C
InChIInChI=1S/C12H21BrN2S/c1-8(2)9(7-14)12(15(3)4)10-5-6-11(13)16-10/h5-6,8-9,12H,7,14H2,1-4H3
InChIKeyLCQBUEDWSOJBMJ-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.34
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116913500) has the molecular formula C12H21BrN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116913500
Molecular FormulaC12H21BrN2S
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccc(Br)s1)N(C)C
InChIInChI=1S/C12H21BrN2S/c1-8(2)9(7-14)12(15(3)4)10-5-6-11(13)16-10/h5-6,8-9,12H,7,14H2,1-4H3
InChIKeyLCQBUEDWSOJBMJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945742
1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913535
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574
1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913486
1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571920
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112657747
N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116913540
1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980007
3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2-(methylamino)propanoic acid
CID 116914048
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 54983458
1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913506
2-[[2-amino-1-(5-bromothiophen-2-yl)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478575

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 116913500) is 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)C(c1ccc(Br)s1)N(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is LCQBUEDWSOJBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2S/c1-8(2)9(7-14)12(15(3)4)10-5-6-11(13)16-10/h5-6,8-9,12H,7,14H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 305.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116913500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).