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

C13H18N2O — CID 104865123

IUPAC5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
SMILESC[C@@H](NCc1ccc(C#N)o1)C1CCCC1
InChIInChI=1S/C13H18N2O/c1-10(11-4-2-3-5-11)15-9-13-7-6-12(8-14)16-13/h6-7,10-11,15H,2-5,9H2,1H3/t10-/m1/s1
InChIKeyLDFYGQWOWIRXJG-SNVBAGLBSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds4

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

5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile (PubChem CID 104865123) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
PubChem CID104865123
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
SMILESC[C@@H](NCc1ccc(C#N)o1)C1CCCC1
InChIInChI=1S/C13H18N2O/c1-10(11-4-2-3-5-11)15-9-13-7-6-12(8-14)16-13/h6-7,10-11,15H,2-5,9H2,1H3/t10-/m1/s1
InChIKeyLDFYGQWOWIRXJG-SNVBAGLBSA-N
XLogP2.82
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
(1S)-1-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81386114
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
CID 81384910
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
CID 114017957
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
5-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile (CID 104865123) is 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile is C[C@@H](NCc1ccc(C#N)o1)C1CCCC1.
What is the InChIKey of 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile?
The InChIKey is LDFYGQWOWIRXJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(11-4-2-3-5-11)15-9-13-7-6-12(8-14)16-13/h6-7,10-11,15H,2-5,9H2,1H3/t10-/m1/s1.
What are the key properties of 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile?
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 104865123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).