3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C12H18BrNO — CID 104654211

IUPAC3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO/c1-4-12(2)8(7-10(12)14-3)9-5-6-11(13)15-9/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyUPNDZQXWLBMDBT-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.53
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 104654211) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID104654211
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO/c1-4-12(2)8(7-10(12)14-3)9-5-6-11(13)15-9/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyUPNDZQXWLBMDBT-UHFFFAOYSA-N
XLogP3.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 104654211) is 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1c1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is UPNDZQXWLBMDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-4-12(2)8(7-10(12)14-3)9-5-6-11(13)15-9/h5-6,8,10,14H,4,7H2,1-3H3.
What are the key properties of 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 104654211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).