1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine

C16H26BrNS — CID 114457699

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)c1sc(C)cc1Br
InChIInChI=1S/C16H26BrNS/c1-3-18-15(16-14(17)10-12(2)19-16)11-13-8-6-4-5-7-9-13/h10,13,15,18H,3-9,11H2,1-2H3
InChIKeyBVIUXIAZKUTELM-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.83
Rot. Bonds5

About 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine

1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine (PubChem CID 114457699) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
PubChem CID114457699
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)c1sc(C)cc1Br
InChIInChI=1S/C16H26BrNS/c1-3-18-15(16-14(17)10-12(2)19-16)11-13-8-6-4-5-7-9-13/h10,13,15,18H,3-9,11H2,1-2H3
InChIKeyBVIUXIAZKUTELM-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493192
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine
CID 65448785
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102827664
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105138957
N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157381
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
N-[(3-bromo-5-methylthiophen-2-yl)-(oxolan-2-yl)methyl]ethanamine
CID 65279468

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine (CID 114457699) is 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine is CCNC(CC1CCCCCC1)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine?
The InChIKey is BVIUXIAZKUTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-3-18-15(16-14(17)10-12(2)19-16)11-13-8-6-4-5-7-9-13/h10,13,15,18H,3-9,11H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine?
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine has a molecular weight of 344.36 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine is sourced from PubChem (CID 114457699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).