1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine

C16H26BrNS — CID 102836509

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
SMILESCc1sc(CNCC2(CC(C)C)CCCC2)cc1Br
InChIInChI=1S/C16H26BrNS/c1-12(2)9-16(6-4-5-7-16)11-18-10-14-8-15(17)13(3)19-14/h8,12,18H,4-7,9-11H2,1-3H3
InChIKeyYVINYBDJXSERGB-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.52
Rot. Bonds6

About 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine

1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine (PubChem CID 102836509) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
PubChem CID102836509
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
SMILESCc1sc(CNCC2(CC(C)C)CCCC2)cc1Br
InChIInChI=1S/C16H26BrNS/c1-12(2)9-16(6-4-5-7-16)11-18-10-14-8-15(17)13(3)19-14/h8,12,18H,4-7,9-11H2,1-3H3
InChIKeyYVINYBDJXSERGB-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine with MolForge

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Related Compounds

1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102837189
N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 115445033
[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol
CID 102835457
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247
1-(5-chloro-1,3-thiazol-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
CID 107124099
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 102835924
1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 102836123
[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 102836979
[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopropyl]methanol
CID 102837729
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
CID 102831045
1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 65241401

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine (CID 102836509) is 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine is Cc1sc(CNCC2(CC(C)C)CCCC2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine?
The InChIKey is YVINYBDJXSERGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-12(2)9-16(6-4-5-7-16)11-18-10-14-8-15(17)13(3)19-14/h8,12,18H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine has a molecular weight of 344.36 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine is sourced from PubChem (CID 102836509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).