1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine

C12H21NO — CID 62678424

IUPAC1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCc1ccc(C(N)C(C)(C)CC)o1
InChIInChI=1S/C12H21NO/c1-5-9-7-8-10(14-9)11(13)12(3,4)6-2/h7-8,11H,5-6,13H2,1-4H3
InChIKeyCNHGRMKZYXEOQR-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.28
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine

1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine (PubChem CID 62678424) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
PubChem CID62678424
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCc1ccc(C(N)C(C)(C)CC)o1
InChIInChI=1S/C12H21NO/c1-5-9-7-8-10(14-9)11(13)12(3,4)6-2/h7-8,11H,5-6,13H2,1-4H3
InChIKeyCNHGRMKZYXEOQR-UHFFFAOYSA-N
XLogP3.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine (CID 62678424) is 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine is CCc1ccc(C(N)C(C)(C)CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is CNHGRMKZYXEOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-9-7-8-10(14-9)11(13)12(3,4)6-2/h7-8,11H,5-6,13H2,1-4H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine?
1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62678424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).