2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine

C11H15Br2NS — CID 102837489

IUPAC2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
SMILESCC(CNCc1cc(Br)c(Br)s1)C1CC1
InChIInChI=1S/C11H15Br2NS/c1-7(8-2-3-8)5-14-6-9-4-10(12)11(13)15-9/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyFTSXYLMQNPCAOE-UHFFFAOYSA-N
MW353.12 g/mol
LogP4.41
Rot. Bonds5

About 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine

2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine (PubChem CID 102837489) has the molecular formula C11H15Br2NS and a molecular weight of 353.12 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
PubChem CID102837489
Molecular FormulaC11H15Br2NS
Molecular Weight353.12 g/mol
Exact Mass350.93
IUPAC Name2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
SMILESCC(CNCc1cc(Br)c(Br)s1)C1CC1
InChIInChI=1S/C11H15Br2NS/c1-7(8-2-3-8)5-14-6-9-4-10(12)11(13)15-9/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyFTSXYLMQNPCAOE-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102830980
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218
N-[(4,5-dibromothiophen-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 102831295
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 102835764
N-[(4,5-dibromothiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 102830883
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 102835230
2-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]propan-1-amine
CID 115592571
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460897
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
N-[(4,5-dibromothiophen-2-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 102836922

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine (CID 102837489) is 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine is CC(CNCc1cc(Br)c(Br)s1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is FTSXYLMQNPCAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NS/c1-7(8-2-3-8)5-14-6-9-4-10(12)11(13)15-9/h4,7-8,14H,2-3,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 353.12 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102837489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).