1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine

C13H20BrNS — CID 105153841

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1csc(Br)c1)C1CCC(C)CC1
InChIInChI=1S/C13H20BrNS/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)16-8-11/h7-10,13,15H,3-6H2,1-2H3
InChIKeyNQSVENYXNBUMGX-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.60
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine

1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine (PubChem CID 105153841) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
PubChem CID105153841
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1csc(Br)c1)C1CCC(C)CC1
InChIInChI=1S/C13H20BrNS/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)16-8-11/h7-10,13,15H,3-6H2,1-2H3
InChIKeyNQSVENYXNBUMGX-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
1-(5-bromothiophen-3-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 105167581
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
CID 105330730
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988173
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 102828405
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988096

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine (CID 105153841) is 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine is CNC(c1csc(Br)c1)C1CCC(C)CC1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The InChIKey is NQSVENYXNBUMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-9-3-5-10(6-4-9)13(15-2)11-7-12(14)16-8-11/h7-10,13,15H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine has a molecular weight of 302.28 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 105153841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).