5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile

C12H16N2O2 — CID 115652909

IUPAC5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
SMILESCOC1CCCC1NCc1ccc(C#N)o1
InChIInChI=1S/C12H16N2O2/c1-15-12-4-2-3-11(12)14-8-10-6-5-9(7-13)16-10/h5-6,11-12,14H,2-4,8H2,1H3
InChIKeyLMWAHDAQVIQFIJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.81
Rot. Bonds4

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

5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115652909) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
PubChem CID115652909
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
SMILESCOC1CCCC1NCc1ccc(C#N)o1
InChIInChI=1S/C12H16N2O2/c1-15-12-4-2-3-11(12)14-8-10-6-5-9(7-13)16-10/h5-6,11-12,14H,2-4,8H2,1H3
InChIKeyLMWAHDAQVIQFIJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine
CID 115655856
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
CID 115652912
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
CID 107114541
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
CID 102610289
5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
CID 115652643
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile (CID 115652909) is 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile is COC1CCCC1NCc1ccc(C#N)o1.
What is the InChIKey of 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is LMWAHDAQVIQFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-15-12-4-2-3-11(12)14-8-10-6-5-9(7-13)16-10/h5-6,11-12,14H,2-4,8H2,1H3.
What are the key properties of 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile?
5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).