2-[furan-2-ylmethyl(methyl)amino]propanenitrile

C9H12N2O — CID 60643804

IUPAC2-[furan-2-ylmethyl(methyl)amino]propanenitrile
SMILESCC(C#N)N(C)Cc1ccco1
InChIInChI=1S/C9H12N2O/c1-8(6-10)11(2)7-9-4-3-5-12-9/h3-5,8H,7H2,1-2H3
InChIKeyGTUNGZNMGZHENK-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.62
Rot. Bonds3

About 2-[furan-2-ylmethyl(methyl)amino]propanenitrile

2-[furan-2-ylmethyl(methyl)amino]propanenitrile (PubChem CID 60643804) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]propanenitrile
PubChem CID60643804
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]propanenitrile
SMILESCC(C#N)N(C)Cc1ccco1
InChIInChI=1S/C9H12N2O/c1-8(6-10)11(2)7-9-4-3-5-12-9/h3-5,8H,7H2,1-2H3
InChIKeyGTUNGZNMGZHENK-UHFFFAOYSA-N
XLogP1.62
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
CID 61099442
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
2-[methyl(1H-pyrrol-2-ylmethyl)amino]propanenitrile
CID 115130274
4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 54934467

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]propanenitrile?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]propanenitrile (CID 60643804) is 2-[furan-2-ylmethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]propanenitrile?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]propanenitrile is CC(C#N)N(C)Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]propanenitrile?
The InChIKey is GTUNGZNMGZHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(6-10)11(2)7-9-4-3-5-12-9/h3-5,8H,7H2,1-2H3.
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]propanenitrile?
2-[furan-2-ylmethyl(methyl)amino]propanenitrile has a molecular weight of 164.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 60643804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).