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

C17H28BrNS — CID 65279032

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2sc(C)cc2Br)CC1
InChIInChI=1S/C17H28BrNS/c1-4-5-6-13-7-9-14(10-8-13)16(19-3)17-15(18)11-12(2)20-17/h11,13-14,16,19H,4-10H2,1-3H3
InChIKeyHAAAJEQSLVUEIC-UHFFFAOYSA-N
MW358.39 g/mol
LogP6.08
Rot. Bonds6

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

1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine (PubChem CID 65279032) 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-butylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
PubChem CID65279032
Molecular FormulaC17H28BrNS
Molecular Weight358.39 g/mol
Exact Mass357.11
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2sc(C)cc2Br)CC1
InChIInChI=1S/C17H28BrNS/c1-4-5-6-13-7-9-14(10-8-13)16(19-3)17-15(18)11-12(2)20-17/h11,13-14,16,19H,4-10H2,1-3H3
InChIKeyHAAAJEQSLVUEIC-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532961
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 65279451
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001273
(3-bromo-5-methylthiophen-2-yl)-(4-butylcyclohexyl)methanone
CID 65279638
3-bromo-5-[(4-butylcyclohexyl)-chloromethyl]-2-methylthiophene
CID 102835490
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine (CID 65279032) is 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine is CCCCC1CCC(C(NC)c2sc(C)cc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
The InChIKey is HAAAJEQSLVUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNS/c1-4-5-6-13-7-9-14(10-8-13)16(19-3)17-15(18)11-12(2)20-17/h11,13-14,16,19H,4-10H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine has a molecular weight of 358.39 g/mol, XLogP of 6.08, 6 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-butylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 65279032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).