N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine

C13H23NO — CID 104790174

IUPACN,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
SMILESCCNC(c1ccoc1C)C(CC)CC
InChIInChI=1S/C13H23NO/c1-5-11(6-2)13(14-7-3)12-8-9-15-10(12)4/h8-9,11,13-14H,5-7H2,1-4H3
InChIKeyPETUTSHBSCGLOC-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.67
Rot. Bonds6

About N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine

N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine (PubChem CID 104790174) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
PubChem CID104790174
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
SMILESCCNC(c1ccoc1C)C(CC)CC
InChIInChI=1S/C13H23NO/c1-5-11(6-2)13(14-7-3)12-8-9-15-10(12)4/h8-9,11,13-14H,5-7H2,1-4H3
InChIKeyPETUTSHBSCGLOC-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylfuran-3-yl)decan-1-amine
CID 104790131
N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790058
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453401
N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988
2-ethoxy-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790093
N-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453376
N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790226
N-ethyl-4,4-dimethyl-1-(2-methylfuran-3-yl)pentan-1-amine
CID 104790089
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
CID 106692647
1-(2-bromo-5-methylphenyl)-N,2-diethylbutan-1-amine
CID 105013849

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine (CID 104790174) is N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine is CCNC(c1ccoc1C)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine?
The InChIKey is PETUTSHBSCGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11(6-2)13(14-7-3)12-8-9-15-10(12)4/h8-9,11,13-14H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine?
N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 104790174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).