1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine

C12H18BrNS — CID 64513419

IUPAC1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2cc(Br)cs2)C1
InChIInChI=1S/C12H18BrNS/c1-2-9-3-4-12(14,6-9)7-11-5-10(13)8-15-11/h5,8-9H,2-4,6-7,14H2,1H3
InChIKeyJOXGLANOEVMPRY-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.96
Rot. Bonds3

About 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine

1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine (PubChem CID 64513419) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
PubChem CID64513419
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2cc(Br)cs2)C1
InChIInChI=1S/C12H18BrNS/c1-2-9-3-4-12(14,6-9)7-11-5-10(13)8-15-11/h5,8-9H,2-4,6-7,14H2,1H3
InChIKeyJOXGLANOEVMPRY-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-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine (CID 64513419) is 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine is CCC1CCC(N)(Cc2cc(Br)cs2)C1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
The InChIKey is JOXGLANOEVMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-9-3-4-12(14,6-9)7-11-5-10(13)8-15-11/h5,8-9H,2-4,6-7,14H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine?
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine 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-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64513419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).