1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine

C12H18BrNS — CID 79856783

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1(N)Cc1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-11(2)4-3-5-12(11,14)7-10-6-9(13)8-15-10/h6,8H,3-5,7,14H2,1-2H3
InChIKeyJASOGTDVCDXKHP-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.96
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine

1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79856783) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79856783
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1(N)Cc1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-11(2)4-3-5-12(11,14)7-10-6-9(13)8-15-10/h6,8H,3-5,7,14H2,1-2H3
InChIKeyJASOGTDVCDXKHP-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine
CID 63220178
4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
CID 66049313
[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
CID 66025971
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-amine
CID 65089867
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64513419
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 75424655
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
1-[(4-bromothiophen-2-yl)methyl]cycloheptane-1-carbonitrile
CID 65389916
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116706997
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 55096011
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79856783) is 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine is CC1(C)CCCC1(N)Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is JASOGTDVCDXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-11(2)4-3-5-12(11,14)7-10-6-9(13)8-15-10/h6,8H,3-5,7,14H2,1-2H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79856783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).