5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile

C12H16N2O2 — CID 102610289

IUPAC5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
SMILESCCOC1CC(NCc2ccc(C#N)o2)C1
InChIInChI=1S/C12H16N2O2/c1-2-15-12-5-9(6-12)14-8-11-4-3-10(7-13)16-11/h3-4,9,12,14H,2,5-6,8H2,1H3
InChIKeyDBGYENAVCLPGIU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.81
Rot. Bonds5

About 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile

5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile (PubChem CID 102610289) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
PubChem CID102610289
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
SMILESCCOC1CC(NCc2ccc(C#N)o2)C1
InChIInChI=1S/C12H16N2O2/c1-2-15-12-5-9(6-12)14-8-11-4-3-10(7-13)16-11/h3-4,9,12,14H,2,5-6,8H2,1H3
InChIKeyDBGYENAVCLPGIU-UHFFFAOYSA-N
XLogP1.81
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
4-[[(3-ethoxycyclobutyl)amino]methyl]-2-fluoroaniline
CID 114119839
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
CID 115652268
5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
CID 115652909
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile (CID 102610289) is 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile is CCOC1CC(NCc2ccc(C#N)o2)C1.
What is the InChIKey of 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is DBGYENAVCLPGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-15-12-5-9(6-12)14-8-11-4-3-10(7-13)16-11/h3-4,9,12,14H,2,5-6,8H2,1H3.
What are the key properties of 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile?
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 102610289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).