2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile

C13H20N2O — CID 115254151

IUPAC2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)CCc1ccc(C)o1
InChIInChI=1S/C13H20N2O/c1-4-12(9-14)10-15(3)8-7-13-6-5-11(2)16-13/h5-6,12H,4,7-8,10H2,1-3H3
InChIKeyDLUIVSOZSWWFNW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.61
Rot. Bonds6

About 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile

2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile (PubChem CID 115254151) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
PubChem CID115254151
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)CCc1ccc(C)o1
InChIInChI=1S/C13H20N2O/c1-4-12(9-14)10-15(3)8-7-13-6-5-11(2)16-13/h5-6,12H,4,7-8,10H2,1-3H3
InChIKeyDLUIVSOZSWWFNW-UHFFFAOYSA-N
XLogP2.61
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]propanenitrile
CID 115130586
2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
CID 115254101
2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115188457
N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine
CID 115215237
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanedioic acid
CID 115144679
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]butanenitrile
CID 115254139
4-amino-3-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]benzonitrile
CID 115127340
2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
CID 115129501
(E)-4-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]but-2-enoic acid
CID 115237377
2-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 55208257
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]butanenitrile
CID 115253887
2-[[(4-fluorophenyl)methyl-methylamino]methyl]butanenitrile
CID 115253889

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile?
The IUPAC name of 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile (CID 115254151) is 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile.
What is the SMILES notation for 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile?
The canonical SMILES for 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile is CCC(C#N)CN(C)CCc1ccc(C)o1.
What is the InChIKey of 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile?
The InChIKey is DLUIVSOZSWWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(9-14)10-15(3)8-7-13-6-5-11(2)16-13/h5-6,12H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile?
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile has a molecular weight of 220.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile is sourced from PubChem (CID 115254151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).