3-(1-amino-2-methylpropyl)furan-2-carbonitrile

C9H12N2O — CID 130000147

IUPAC3-(1-amino-2-methylpropyl)furan-2-carbonitrile
SMILESCC(C)C(N)c1ccoc1C#N
InChIInChI=1S/C9H12N2O/c1-6(2)9(11)7-3-4-12-8(7)5-10/h3-4,6,9H,11H2,1-2H3
InChIKeyNOPDCRFCCYTGSM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.81
Rot. Bonds2

About 3-(1-amino-2-methylpropyl)furan-2-carbonitrile

3-(1-amino-2-methylpropyl)furan-2-carbonitrile (PubChem CID 130000147) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropyl)furan-2-carbonitrile.

Molecular Properties

Compound Name3-(1-amino-2-methylpropyl)furan-2-carbonitrile
PubChem CID130000147
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(1-amino-2-methylpropyl)furan-2-carbonitrile
SMILESCC(C)C(N)c1ccoc1C#N
InChIInChI=1S/C9H12N2O/c1-6(2)9(11)7-3-4-12-8(7)5-10/h3-4,6,9H,11H2,1-2H3
InChIKeyNOPDCRFCCYTGSM-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
CID 130665425
2-amino-2-(3-propan-2-ylfuran-2-yl)acetonitrile
CID 131470005
3-[(1R)-1-amino-2-methylpropyl]-4-chlorobenzonitrile
CID 130706391
2-[(1S)-1-amino-2-methylpropyl]-5-fluorobenzonitrile
CID 130703506
3-(bromomethyl)furan-2-carbonitrile
CID 15146341
2-(1-amino-2-hydroxypropyl)benzonitrile
CID 55294755
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
2-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267325
3-[3-(1-hydroxyethyl)-6-methyl-2-pyridinyl]furan-2-carbonitrile
CID 168992065
(3S)-3-amino-3-(2-ethylfuran-3-yl)propanenitrile
CID 55292744
2-(2-aminophenyl)propanenitrile
CID 20509311
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropyl)furan-2-carbonitrile?
The IUPAC name of 3-(1-amino-2-methylpropyl)furan-2-carbonitrile (CID 130000147) is 3-(1-amino-2-methylpropyl)furan-2-carbonitrile.
What is the SMILES notation for 3-(1-amino-2-methylpropyl)furan-2-carbonitrile?
The canonical SMILES for 3-(1-amino-2-methylpropyl)furan-2-carbonitrile is CC(C)C(N)c1ccoc1C#N.
What is the InChIKey of 3-(1-amino-2-methylpropyl)furan-2-carbonitrile?
The InChIKey is NOPDCRFCCYTGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(2)9(11)7-3-4-12-8(7)5-10/h3-4,6,9H,11H2,1-2H3.
What are the key properties of 3-(1-amino-2-methylpropyl)furan-2-carbonitrile?
3-(1-amino-2-methylpropyl)furan-2-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropyl)furan-2-carbonitrile is sourced from PubChem (CID 130000147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).