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

C11H16BrNS — CID 64513410

IUPAC1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNS/c1-8-4-5-11(13,6-8)7-9-2-3-10(12)14-9/h2-3,8H,4-7,13H2,1H3
InChIKeyVYGIUJOXZHGYPF-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.57
Rot. Bonds2

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

1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 64513410) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine
PubChem CID64513410
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNS/c1-8-4-5-11(13,6-8)7-9-2-3-10(12)14-9/h2-3,8H,4-7,13H2,1H3
InChIKeyVYGIUJOXZHGYPF-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine (CID 64513410) is 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(N)(Cc2ccc(Br)s2)C1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is VYGIUJOXZHGYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8-4-5-11(13,6-8)7-9-2-3-10(12)14-9/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine?
1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64513410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).