5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile

C11H14N2O — CID 115765798

IUPAC5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
SMILESCC1(NCc2ccc(C#N)o2)CCC1
InChIInChI=1S/C11H14N2O/c1-11(5-2-6-11)13-8-10-4-3-9(7-12)14-10/h3-4,13H,2,5-6,8H2,1H3
InChIKeyUUHTXIDPQIXNLV-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.18
Rot. Bonds3

About 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile

5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115765798) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
PubChem CID115765798
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
SMILESCC1(NCc2ccc(C#N)o2)CCC1
InChIInChI=1S/C11H14N2O/c1-11(5-2-6-11)13-8-10-4-3-9(7-12)14-10/h3-4,13H,2,5-6,8H2,1H3
InChIKeyUUHTXIDPQIXNLV-UHFFFAOYSA-N
XLogP2.18
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
CID 115653866
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
N-[(5-ethylfuran-2-yl)methyl]-1-methylcyclopropan-1-amine
CID 115697508
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile (CID 115765798) is 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile is CC1(NCc2ccc(C#N)o2)CCC1.
What is the InChIKey of 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is UUHTXIDPQIXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(5-2-6-11)13-8-10-4-3-9(7-12)14-10/h3-4,13H,2,5-6,8H2,1H3.
What are the key properties of 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile?
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115765798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).