N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C16H26BrNS — CID 66475549

IUPACN-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H26BrNS/c1-7-8-18-13(11-9-12(17)19-10(11)2)14-15(3,4)16(14,5)6/h9,13-14,18H,7-8H2,1-6H3
InChIKeyFXAJLTPGMMEIDC-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.54
Rot. Bonds5

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

N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 66475549) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID66475549
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC NameN-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H26BrNS/c1-7-8-18-13(11-9-12(17)19-10(11)2)14-15(3,4)16(14,5)6/h9,13-14,18H,7-8H2,1-6H3
InChIKeyFXAJLTPGMMEIDC-UHFFFAOYSA-N
XLogP5.54
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 ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66476492
N-[(2-chloro-4,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 115484202
N-[(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 107515524
N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 102764112
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163193
N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475348
N-[(3-bromo-4-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79747033
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163194
N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096564
N-[(4-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001441
N-[(5-bromo-2-methylthiophen-3-yl)-(2-ethyloxolan-3-yl)methyl]ethanamine
CID 114105516
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107177546

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 66475549) is N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cc(Br)sc1C)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is FXAJLTPGMMEIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-7-8-18-13(11-9-12(17)19-10(11)2)14-15(3,4)16(14,5)6/h9,13-14,18H,7-8H2,1-6H3.
What are the key properties of N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 344.36 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 66475549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).