5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile

C11H14N2O — CID 115651606

IUPAC5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
SMILESCC(NCc1ccc(C#N)o1)C1CC1
InChIInChI=1S/C11H14N2O/c1-8(9-2-3-9)13-7-11-5-4-10(6-12)14-11/h4-5,8-9,13H,2-3,7H2,1H3
InChIKeyGHORAKJKJOJEBQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.04
Rot. Bonds4

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

5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile (PubChem CID 115651606) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
PubChem CID115651606
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
SMILESCC(NCc1ccc(C#N)o1)C1CC1
InChIInChI=1S/C11H14N2O/c1-8(9-2-3-9)13-7-11-5-4-10(6-12)14-11/h4-5,8-9,13H,2-3,7H2,1H3
InChIKeyGHORAKJKJOJEBQ-UHFFFAOYSA-N
XLogP2.04
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
(1S)-1-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81386114
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
CID 115651497
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115651694
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile (CID 115651606) is 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile is CC(NCc1ccc(C#N)o1)C1CC1.
What is the InChIKey of 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile?
The InChIKey is GHORAKJKJOJEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(9-2-3-9)13-7-11-5-4-10(6-12)14-11/h4-5,8-9,13H,2-3,7H2,1H3.
What are the key properties of 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile?
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).