1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

C13H20BrNS — CID 80535227

IUPAC1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2sccc2Br)CCCC1
InChIInChI=1S/C13H20BrNS/c1-3-13(7-4-5-8-13)12(15-2)11-10(14)6-9-16-11/h6,9,12,15H,3-5,7-8H2,1-2H3
InChIKeyPCTRGGPGNTVPBI-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.74
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 80535227) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
PubChem CID80535227
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2sccc2Br)CCCC1
InChIInChI=1S/C13H20BrNS/c1-3-13(7-4-5-8-13)12(15-2)11-10(14)6-9-16-11/h6,9,12,15H,3-5,7-8H2,1-2H3
InChIKeyPCTRGGPGNTVPBI-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762885
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
N-[(3-bromothiophen-2-yl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105173124
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848
1-[(3-bromothiophen-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103451994
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107515341
[(3-bromothiophen-2-yl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105243027
1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050783
1-(1-ethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854871
1-(3-bromothiophen-2-yl)-N-methyloctan-1-amine
CID 80534752

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (CID 80535227) is 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is CCC1(C(NC)c2sccc2Br)CCCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is PCTRGGPGNTVPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-13(7-4-5-8-13)12(15-2)11-10(14)6-9-16-11/h6,9,12,15H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 302.28 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 80535227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).