2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile

C10H14N2O — CID 104587012

IUPAC2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
SMILESCc1ccoc1CNCC(C)C#N
InChIInChI=1S/C10H14N2O/c1-8(5-11)6-12-7-10-9(2)3-4-13-10/h3-4,8,12H,6-7H2,1-2H3
InChIKeyAOLCADYCUWYYHK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile

2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile (PubChem CID 104587012) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
PubChem CID104587012
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
SMILESCc1ccoc1CNCC(C)C#N
InChIInChI=1S/C10H14N2O/c1-8(5-11)6-12-7-10-9(2)3-4-13-10/h3-4,8,12H,6-7H2,1-2H3
InChIKeyAOLCADYCUWYYHK-UHFFFAOYSA-N
XLogP1.84
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
CID 115653950
3-methyl-N-[(3-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115652029
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
CID 111468077
2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
CID 115683798
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile (CID 104587012) is 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile is Cc1ccoc1CNCC(C)C#N.
What is the InChIKey of 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile?
The InChIKey is AOLCADYCUWYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(5-11)6-12-7-10-9(2)3-4-13-10/h3-4,8,12H,6-7H2,1-2H3.
What are the key properties of 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile?
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile has a molecular weight of 178.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile is sourced from PubChem (CID 104587012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).