N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine

C12H21NO — CID 62679358

IUPACN-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccco1)C(C)(C)CC
InChIInChI=1S/C12H21NO/c1-5-12(3,4)11(13-6-2)10-8-7-9-14-10/h7-9,11,13H,5-6H2,1-4H3
InChIKeyQQXQGFPECGAXMX-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.37
Rot. Bonds5

About N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine

N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine (PubChem CID 62679358) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine
PubChem CID62679358
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccco1)C(C)(C)CC
InChIInChI=1S/C12H21NO/c1-5-12(3,4)11(13-6-2)10-8-7-9-14-10/h7-9,11,13H,5-6H2,1-4H3
InChIKeyQQXQGFPECGAXMX-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine
CID 79055999
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
CID 79050582
2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
CID 116759333
[2-ethoxy-2-ethyl-1-(furan-2-yl)butyl]hydrazine
CID 105274972
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
2-(aminomethyl)-1-(furan-2-yl)-2-methylbutan-1-ol
CID 79135708
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[furan-2-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360723
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
N-[furan-2-yl(isoquinolin-1-yl)methyl]ethanamine
CID 63950200

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine (CID 62679358) is N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine is CCNC(c1ccco1)C(C)(C)CC.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is QQXQGFPECGAXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-12(3,4)11(13-6-2)10-8-7-9-14-10/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine?
N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62679358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).