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

C13H23BrN2S — CID 62557712

IUPACN'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)Cc1csc(Br)c1
InChIInChI=1S/C13H23BrN2S/c1-5-13(2,3)15-6-7-16(4)9-11-8-12(14)17-10-11/h8,10,15H,5-7,9H2,1-4H3
InChIKeyFRDTZBGWFYPJPR-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.72
Rot. Bonds7

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

N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62557712) has the molecular formula C13H23BrN2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62557712
Molecular FormulaC13H23BrN2S
Molecular Weight319.31 g/mol
Exact Mass318.08
IUPAC NameN'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)Cc1csc(Br)c1
InChIInChI=1S/C13H23BrN2S/c1-5-13(2,3)15-6-7-16(4)9-11-8-12(14)17-10-11/h8,10,15H,5-7,9H2,1-4H3
InChIKeyFRDTZBGWFYPJPR-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62557186
N'-[(5-bromothiophen-3-yl)methyl]-N-(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 63501696
N-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 55197214
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
CID 115919436
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088980
N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
CID 62462074
N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62260869
4-[(5-bromothiophen-3-yl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66452184
N'-[(5-bromothiophen-3-yl)methyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63502049
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62553676
N'-[(5-bromothiophen-3-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928808

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 62557712) is N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)NCCN(C)Cc1csc(Br)c1.
What is the InChIKey of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is FRDTZBGWFYPJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2S/c1-5-13(2,3)15-6-7-16(4)9-11-8-12(14)17-10-11/h8,10,15H,5-7,9H2,1-4H3.
What are the key properties of N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 319.31 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62557712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).