N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine

C14H22BrNS — CID 103163193

IUPACN-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cc(Br)sc1C
InChIInChI=1S/C14H22BrNS/c1-3-7-16-13(8-11-5-4-6-11)12-9-14(15)17-10(12)2/h9,11,13,16H,3-8H2,1-2H3
InChIKeyWZBPLYDDKYIIKV-UHFFFAOYSA-N
MW316.31 g/mol
LogP5.05
Rot. Bonds6

About N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine

N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine (PubChem CID 103163193) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
PubChem CID103163193
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cc(Br)sc1C
InChIInChI=1S/C14H22BrNS/c1-3-7-16-13(8-11-5-4-6-11)12-9-14(15)17-10(12)2/h9,11,13,16H,3-8H2,1-2H3
InChIKeyWZBPLYDDKYIIKV-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.31
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163194
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene
CID 103165928
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493192
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
N-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine (CID 103163193) is N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine is CCCNC(CC1CCC1)c1cc(Br)sc1C.
What is the InChIKey of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine?
The InChIKey is WZBPLYDDKYIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-3-7-16-13(8-11-5-4-6-11)12-9-14(15)17-10(12)2/h9,11,13,16H,3-8H2,1-2H3.
What are the key properties of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine?
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine is sourced from PubChem (CID 103163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).