1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine

C9H12BrNS — CID 105157259

IUPAC1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)C1CC1
InChIInChI=1S/C9H12BrNS/c1-11-9(6-2-3-6)7-4-8(10)12-5-7/h4-6,9,11H,2-3H2,1H3
InChIKeyDUDAUUSKUBNHOF-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.18
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine

1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine (PubChem CID 105157259) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
PubChem CID105157259
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)C1CC1
InChIInChI=1S/C9H12BrNS/c1-11-9(6-2-3-6)7-4-8(10)12-5-7/h4-6,9,11H,2-3H2,1H3
InChIKeyDUDAUUSKUBNHOF-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
1-(5-bromothiophen-3-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 105167581
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
CID 105330730
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
1-(5-bromothiophen-3-yl)-N-methylprop-2-yn-1-amine
CID 105158411
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine (CID 105157259) is 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine is CNC(c1csc(Br)c1)C1CC1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is DUDAUUSKUBNHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-11-9(6-2-3-6)7-4-8(10)12-5-7/h4-6,9,11H,2-3H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 246.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 105157259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).