N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine

C11H16BrNS — CID 61365000

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccc(Br)s2)CCCC1
InChIInChI=1S/C11H16BrNS/c1-11(6-2-3-7-11)13-8-9-4-5-10(12)14-9/h4-5,13H,2-3,6-8H2,1H3
InChIKeyCUINYTUNHKFVDM-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.93
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 61365000) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
PubChem CID61365000
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2ccc(Br)s2)CCCC1
InChIInChI=1S/C11H16BrNS/c1-11(6-2-3-7-11)13-8-9-4-5-10(12)14-9/h4-5,13H,2-3,6-8H2,1H3
InChIKeyCUINYTUNHKFVDM-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 61365192
N-[(5-bromothiophen-2-yl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024610
N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765786
N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210234
4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 62758172
N-[(2-bromophenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365185
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 63507818

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine (CID 61365000) is N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine is CC1(NCc2ccc(Br)s2)CCCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is CUINYTUNHKFVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-11(6-2-3-7-11)13-8-9-4-5-10(12)14-9/h4-5,13H,2-3,6-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 61365000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).