N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine

C12H18BrNS — CID 64907544

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(Br)s2)C1C
InChIInChI=1S/C12H18BrNS/c1-8-3-5-11(9(8)2)14-7-10-4-6-12(13)15-10/h4,6,8-9,11,14H,3,5,7H2,1-2H3
InChIKeyRHCMKTPLSMFYTL-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.03
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64907544) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64907544
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(Br)s2)C1C
InChIInChI=1S/C12H18BrNS/c1-8-3-5-11(9(8)2)14-7-10-4-6-12(13)15-10/h4,6,8-9,11,14H,3,5,7H2,1-2H3
InChIKeyRHCMKTPLSMFYTL-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909543
5-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103254766
N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine
CID 79956952
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
1-[(3R,4R)-4-[(5-bromothiophen-2-yl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093544
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]-4-chlorooxolan-3-amine
CID 131165706
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64907544) is N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2ccc(Br)s2)C1C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is RHCMKTPLSMFYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-8-3-5-11(9(8)2)14-7-10-4-6-12(13)15-10/h4,6,8-9,11,14H,3,5,7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.03, 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]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64907544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).