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

C12H18BrNS — CID 64501545

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)s2)C1
InChIInChI=1S/C12H18BrNS/c1-2-9-3-4-10(7-9)14-8-11-5-6-12(13)15-11/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyIMDUPHJFSCFEBJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.18
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine (PubChem CID 64501545) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
PubChem CID64501545
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(Br)s2)C1
InChIInChI=1S/C12H18BrNS/c1-2-9-3-4-10(7-9)14-8-11-5-6-12(13)15-11/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyIMDUPHJFSCFEBJ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 107555313
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685133
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine (CID 64501545) is N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine is CCC1CCC(NCc2ccc(Br)s2)C1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The InChIKey is IMDUPHJFSCFEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-9-3-4-10(7-9)14-8-11-5-6-12(13)15-11/h5-6,9-10,14H,2-4,7-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.18, 4 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]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64501545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).