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

C9H11Br2NS — CID 80533020

IUPACcyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)C1CCC1
InChIInChI=1S/C9H11Br2NS/c10-6-4-7(13-9(6)11)8(12)5-2-1-3-5/h4-5,8H,1-3,12H2
InChIKeyCHDIXVHIOQLBDC-UHFFFAOYSA-N
MW325.07 g/mol
LogP4.07
Rot. Bonds2

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

cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine (PubChem CID 80533020) has the molecular formula C9H11Br2NS and a molecular weight of 325.07 g/mol. Its IUPAC name is cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
PubChem CID80533020
Molecular FormulaC9H11Br2NS
Molecular Weight325.07 g/mol
Exact Mass322.90
IUPAC Namecyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)C1CCC1
InChIInChI=1S/C9H11Br2NS/c10-6-4-7(13-9(6)11)8(12)5-2-1-3-5/h4-5,8H,1-3,12H2
InChIKeyCHDIXVHIOQLBDC-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 130826862
(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80533050
2,3-dibromo-5-[bromo(cyclohexyl)methyl]thiophene
CID 80534412
(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097016
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80533090

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine?
The IUPAC name of cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine (CID 80533020) is cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine.
What is the SMILES notation for cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine?
The canonical SMILES for cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine is NC(c1cc(Br)c(Br)s1)C1CCC1.
What is the InChIKey of cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine?
The InChIKey is CHDIXVHIOQLBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NS/c10-6-4-7(13-9(6)11)8(12)5-2-1-3-5/h4-5,8H,1-3,12H2.
What are the key properties of cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine?
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine has a molecular weight of 325.07 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine is sourced from PubChem (CID 80533020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).