1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

C12H21BrN2S — CID 43571920

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1ccc(Br)s1
InChIInChI=1S/C12H21BrN2S/c1-4-5-9(2)15(3)10(8-14)11-6-7-12(13)16-11/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyAERBVTJEJNMQND-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.63
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (PubChem CID 43571920) has the molecular formula C12H21BrN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
PubChem CID43571920
Molecular FormulaC12H21BrN2S
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1ccc(Br)s1
InChIInChI=1S/C12H21BrN2S/c1-4-5-9(2)15(3)10(8-14)11-6-7-12(13)16-11/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyAERBVTJEJNMQND-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112657747
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 54983458
1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980007
N-methyl-1-(4-methylphenyl)-N-pentan-2-ylethane-1,2-diamine
CID 43571950
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 102839988
1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 55000952
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82732855
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
1-(2-bromo-4-fluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 114059954
2-bromo-5-(1-chlorobutyl)thiophene
CID 61085689
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571921
1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (CID 43571920) is 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine is CCCC(C)N(C)C(CN)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is AERBVTJEJNMQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2S/c1-4-5-9(2)15(3)10(8-14)11-6-7-12(13)16-11/h6-7,9-10H,4-5,8,14H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 305.29 g/mol, XLogP of 3.63, 6 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-methyl-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 43571920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).