2-[(propan-2-ylamino)methyl]furan-3-carbonitrile

C9H12N2O — CID 106887928

IUPAC2-[(propan-2-ylamino)methyl]furan-3-carbonitrile
SMILESCC(C)NCc1occc1C#N
InChIInChI=1S/C9H12N2O/c1-7(2)11-6-9-8(5-10)3-4-12-9/h3-4,7,11H,6H2,1-2H3
InChIKeyBGUQODSPELHOCE-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.65
Rot. Bonds3

About 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile

2-[(propan-2-ylamino)methyl]furan-3-carbonitrile (PubChem CID 106887928) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile.

Molecular Properties

Compound Name2-[(propan-2-ylamino)methyl]furan-3-carbonitrile
PubChem CID106887928
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-[(propan-2-ylamino)methyl]furan-3-carbonitrile
SMILESCC(C)NCc1occc1C#N
InChIInChI=1S/C9H12N2O/c1-7(2)11-6-9-8(5-10)3-4-12-9/h3-4,7,11H,6H2,1-2H3
InChIKeyBGUQODSPELHOCE-UHFFFAOYSA-N
XLogP1.65
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)furan-3-carbonitrile
CID 106887931
3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
CID 106887474
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106888284
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
CID 104587012
N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275759
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907

Frequently Asked Questions

What is the IUPAC name of 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile?
The IUPAC name of 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile (CID 106887928) is 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile.
What is the SMILES notation for 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile?
The canonical SMILES for 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile is CC(C)NCc1occc1C#N.
What is the InChIKey of 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile?
The InChIKey is BGUQODSPELHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(2)11-6-9-8(5-10)3-4-12-9/h3-4,7,11H,6H2,1-2H3.
What are the key properties of 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile?
2-[(propan-2-ylamino)methyl]furan-3-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propan-2-ylamino)methyl]furan-3-carbonitrile is sourced from PubChem (CID 106887928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).