(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine

C9H11Br2NS — CID 80533050

IUPAC(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2NS/c1-4-2-5(4)8(12)7-3-6(10)9(11)13-7/h3-5,8H,2,12H2,1H3
InChIKeyXCQFBAWXRDFOAF-UHFFFAOYSA-N
MW325.07 g/mol
LogP3.93
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine

(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine (PubChem CID 80533050) has the molecular formula C9H11Br2NS and a molecular weight of 325.07 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
PubChem CID80533050
Molecular FormulaC9H11Br2NS
Molecular Weight325.07 g/mol
Exact Mass322.90
IUPAC Name(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2NS/c1-4-2-5(4)8(12)7-3-6(10)9(11)13-7/h3-5,8H,2,12H2,1H3
InChIKeyXCQFBAWXRDFOAF-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.07
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097016
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 130826862
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
1-(4,5-dibromothiophen-2-yl)ethylhydrazine
CID 105282646

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine (CID 80533050) is (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine is CC1CC1C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
The InChIKey is XCQFBAWXRDFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NS/c1-4-2-5(4)8(12)7-3-6(10)9(11)13-7/h3-5,8H,2,12H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine?
(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine has a molecular weight of 325.07 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 80533050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).