1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine

C12H21NO — CID 62346389

IUPAC1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
SMILESCCc1ccc(C(CC(C)C)NC)o1
InChIInChI=1S/C12H21NO/c1-5-10-6-7-12(14-10)11(13-4)8-9(2)3/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyFQGCMXRYSUONLB-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.15
Rot. Bonds5

About 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine

1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine (PubChem CID 62346389) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
PubChem CID62346389
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
SMILESCCc1ccc(C(CC(C)C)NC)o1
InChIInChI=1S/C12H21NO/c1-5-10-6-7-12(14-10)11(13-4)8-9(2)3/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyFQGCMXRYSUONLB-UHFFFAOYSA-N
XLogP3.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
CID 112709867
1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
CID 62346220
1-(5-ethylfuran-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55061360
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
1-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999769
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 104989847
1-(5-ethylfuran-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034717
3-cyclopentyl-1-(5-ethylfuran-2-yl)-N-methylpropan-1-amine
CID 62346393
N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704790
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 105016055

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine (CID 62346389) is 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine is CCc1ccc(C(CC(C)C)NC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is FQGCMXRYSUONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-10-6-7-12(14-10)11(13-4)8-9(2)3/h6-7,9,11,13H,5,8H2,1-4H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine?
1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.15, 5 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)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62346389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).