[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine

C12H18BrNS — CID 62724489

IUPAC[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2sccc2Br)CCCCC1
InChIInChI=1S/C12H18BrNS/c13-10-4-7-15-11(10)8-12(9-14)5-2-1-3-6-12/h4,7H,1-3,5-6,8-9,14H2
InChIKeyRBWQWGHVCPMDMV-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.96
Rot. Bonds3

About [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine

[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine (PubChem CID 62724489) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine
PubChem CID62724489
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2sccc2Br)CCCCC1
InChIInChI=1S/C12H18BrNS/c13-10-4-7-15-11(10)8-12(9-14)5-2-1-3-6-12/h4,7H,1-3,5-6,8-9,14H2
InChIKeyRBWQWGHVCPMDMV-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine (CID 62724489) is [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine is NCC1(Cc2sccc2Br)CCCCC1.
What is the InChIKey of [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine?
The InChIKey is RBWQWGHVCPMDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c13-10-4-7-15-11(10)8-12(9-14)5-2-1-3-6-12/h4,7H,1-3,5-6,8-9,14H2.
What are the key properties of [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine?
[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine has a molecular weight of 288.25 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 62724489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).