1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine

C17H28BrNS — CID 65279451

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1sc(C)cc1Br)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H28BrNS/c1-11-10-14(18)16(20-11)15(19-5)12-6-8-13(9-7-12)17(2,3)4/h10,12-13,15,19H,6-9H2,1-5H3
InChIKeyYGEMWEQFWGXSPK-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.93
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine

1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine (PubChem CID 65279451) has the molecular formula C17H28BrNS and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
PubChem CID65279451
Molecular FormulaC17H28BrNS
Molecular Weight358.39 g/mol
Exact Mass357.11
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1sc(C)cc1Br)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H28BrNS/c1-11-10-14(18)16(20-11)15(19-5)12-6-8-13(9-7-12)17(2,3)4/h10,12-13,15,19H,6-9H2,1-5H3
InChIKeyYGEMWEQFWGXSPK-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 79602849
1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001273
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 65279713
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene
CID 83149091
1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 63501939
3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene
CID 83148973
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 104575722

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine (CID 65279451) is 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine is CNC(c1sc(C)cc1Br)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
The InChIKey is YGEMWEQFWGXSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNS/c1-11-10-14(18)16(20-11)15(19-5)12-6-8-13(9-7-12)17(2,3)4/h10,12-13,15,19H,6-9H2,1-5H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine has a molecular weight of 358.39 g/mol, XLogP of 5.93, 3 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)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 65279451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).