1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine

C14H25BrN2S — CID 115380378

IUPAC1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1sccc1Br
InChIInChI=1S/C14H25BrN2S/c1-4-6-8-17(11(3)5-2)13(10-16)14-12(15)7-9-18-14/h7,9,11,13H,4-6,8,10,16H2,1-3H3
InChIKeyUQHJWVDRGYAPRM-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.41
Rot. Bonds8

About 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine

1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine (PubChem CID 115380378) has the molecular formula C14H25BrN2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine
PubChem CID115380378
Molecular FormulaC14H25BrN2S
Molecular Weight333.34 g/mol
Exact Mass332.09
IUPAC Name1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)c1sccc1Br
InChIInChI=1S/C14H25BrN2S/c1-4-6-8-17(11(3)5-2)13(10-16)14-12(15)7-9-18-14/h7,9,11,13H,4-6,8,10,16H2,1-3H3
InChIKeyUQHJWVDRGYAPRM-UHFFFAOYSA-N
XLogP4.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 54940568
1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 115380264
1-(3-bromo-4-fluorophenyl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 63465037
1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 115380297
2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912
1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 115380381
N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
CID 55004964
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 115380506
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
1-(3-bromothiophen-2-yl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380401
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66116888

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine (CID 115380378) is 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine is CCCCN(C(C)CC)C(CN)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine?
The InChIKey is UQHJWVDRGYAPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2S/c1-4-6-8-17(11(3)5-2)13(10-16)14-12(15)7-9-18-14/h7,9,11,13H,4-6,8,10,16H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine?
1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine has a molecular weight of 333.34 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine is sourced from PubChem (CID 115380378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).