1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine

C16H25Br2NS — CID 80532961

IUPAC1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C16H25Br2NS/c1-3-4-5-11-6-8-12(9-7-11)15(19-2)14-10-13(17)16(18)20-14/h10-12,15,19H,3-9H2,1-2H3
InChIKeyGYKLYNOWSFHRSA-UHFFFAOYSA-N
MW423.26 g/mol
LogP6.53
Rot. Bonds6

About 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine

1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine (PubChem CID 80532961) has the molecular formula C16H25Br2NS and a molecular weight of 423.26 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
PubChem CID80532961
Molecular FormulaC16H25Br2NS
Molecular Weight423.26 g/mol
Exact Mass421.01
IUPAC Name1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C16H25Br2NS/c1-3-4-5-11-6-8-12(9-7-11)15(19-2)14-10-13(17)16(18)20-14/h10-12,15,19H,3-9H2,1-2H3
InChIKeyGYKLYNOWSFHRSA-UHFFFAOYSA-N
XLogP6.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.26
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
3-bromo-5-[(4-butylcyclohexyl)-chloromethyl]-2-methylthiophene
CID 102835490
N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 63501873
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 102828405
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
N-[(4-butylcyclohexyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763864
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine (CID 80532961) is 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine is CCCCC1CCC(C(NC)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
The InChIKey is GYKLYNOWSFHRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2NS/c1-3-4-5-11-6-8-12(9-7-11)15(19-2)14-10-13(17)16(18)20-14/h10-12,15,19H,3-9H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine?
1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine has a molecular weight of 423.26 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 80532961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).