1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine

C11H17BrN2S — CID 115380297

IUPAC1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1sccc1Br
InChIInChI=1S/C11H17BrN2S/c1-2-14(8-3-4-8)10(7-13)11-9(12)5-6-15-11/h5-6,8,10H,2-4,7,13H2,1H3
InChIKeyREIGOBACNICBFP-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.99
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine

1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine (PubChem CID 115380297) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine
PubChem CID115380297
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1sccc1Br
InChIInChI=1S/C11H17BrN2S/c1-2-14(8-3-4-8)10(7-13)11-9(12)5-6-15-11/h5-6,8,10H,2-4,7,13H2,1H3
InChIKeyREIGOBACNICBFP-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 115380381
1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 115380264
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 43264016
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
1-(3-bromothiophen-2-yl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 115380378
1-(3-bromothiophen-2-yl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380401
N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine
CID 62084882
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 115380506
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
1-(3-bromothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380402
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine (CID 115380297) is 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine is CCN(C1CC1)C(CN)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine?
The InChIKey is REIGOBACNICBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-2-14(8-3-4-8)10(7-13)11-9(12)5-6-15-11/h5-6,8,10H,2-4,7,13H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine?
1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-ethylethane-1,2-diamine has a molecular weight of 289.24 g/mol, XLogP of 2.99, 5 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-cyclopropyl-N-ethylethane-1,2-diamine is sourced from PubChem (CID 115380297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).