2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile

C9H12N2O — CID 131470005

IUPAC2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile
SMILESCC(C)c1ccoc1C(N)C#N
InChIInChI=1S/C9H12N2O/c1-6(2)7-3-4-12-9(7)8(11)5-10/h3-4,6,8H,11H2,1-2H3
InChIKeyKDDWPRIETYRQPR-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile

2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile (PubChem CID 131470005) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile
PubChem CID131470005
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile
SMILESCC(C)c1ccoc1C(N)C#N
InChIInChI=1S/C9H12N2O/c1-6(2)7-3-4-12-9(7)8(11)5-10/h3-4,6,8H,11H2,1-2H3
InChIKeyKDDWPRIETYRQPR-UHFFFAOYSA-N
XLogP1.93
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-amino-2-methylpropyl)furan-2-carbonitrile
CID 130000147
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2-amino-2-(4-butan-2-ylthiophen-3-yl)acetonitrile
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CID 173288142
CID 173288142
3-(3-bromofuran-2-yl)-3-hydroxy-2-methylpropanenitrile
CID 106889617
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2-(2-aminophenyl)propanenitrile
CID 20509311
(2R)-2-amino-2-(4-aminophenyl)acetonitrile
CID 126961304
[2-(1-aminoethyl)furan-3-yl]tin(3+);ethanethiolate
CID 70261674
3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
CID 130665425

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile?
The IUPAC name of 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile (CID 131470005) is 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile is CC(C)c1ccoc1C(N)C#N.
What is the InChIKey of 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile?
The InChIKey is KDDWPRIETYRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(2)7-3-4-12-9(7)8(11)5-10/h3-4,6,8H,11H2,1-2H3.
What are the key properties of 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile?
2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile is sourced from PubChem (CID 131470005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).