[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine

C9H12BrNS — CID 62708335

IUPAC[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine
SMILESCC1(c2ccc(Br)s2)CC1CN
InChIInChI=1S/C9H12BrNS/c1-9(4-6(9)5-11)7-2-3-8(10)12-7/h2-3,6H,4-5,11H2,1H3
InChIKeyVOADBVKKYOYVIC-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.75
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine

[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine (PubChem CID 62708335) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine
PubChem CID62708335
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine
SMILESCC1(c2ccc(Br)s2)CC1CN
InChIInChI=1S/C9H12BrNS/c1-9(4-6(9)5-11)7-2-3-8(10)12-7/h2-3,6H,4-5,11H2,1H3
InChIKeyVOADBVKKYOYVIC-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine (CID 62708335) is [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine is CC1(c2ccc(Br)s2)CC1CN.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine?
The InChIKey is VOADBVKKYOYVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-9(4-6(9)5-11)7-2-3-8(10)12-7/h2-3,6H,4-5,11H2,1H3.
What are the key properties of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine?
[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine has a molecular weight of 246.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine is sourced from PubChem (CID 62708335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).