N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

C15H24BrNS — CID 107177972

IUPACN-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)s1)C1CCCC1(C)C
InChIInChI=1S/C15H24BrNS/c1-5-17-13(11-7-6-8-15(11,3)4)12-9-10(2)14(16)18-12/h9,11,13,17H,5-8H2,1-4H3
InChIKeyAPKDSAYJXFAOIV-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.30
Rot. Bonds4

About N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (PubChem CID 107177972) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
PubChem CID107177972
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)s1)C1CCCC1(C)C
InChIInChI=1S/C15H24BrNS/c1-5-17-13(11-7-6-8-15(11,3)4)12-9-10(2)14(16)18-12/h9,11,13,17H,5-8H2,1-4H3
InChIKeyAPKDSAYJXFAOIV-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107178071
N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (CID 107177972) is N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is CCNC(c1cc(C)c(Br)s1)C1CCCC1(C)C.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The InChIKey is APKDSAYJXFAOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-5-17-13(11-7-6-8-15(11,3)4)12-9-10(2)14(16)18-12/h9,11,13,17H,5-8H2,1-4H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine has a molecular weight of 330.34 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107177972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).