5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile

C14H21N3O — CID 115652335

IUPAC5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
SMILESCC(CNCc1ccc(C#N)o1)CN1CCCC1
InChIInChI=1S/C14H21N3O/c1-12(11-17-6-2-3-7-17)9-16-10-14-5-4-13(8-15)18-14/h4-5,12,16H,2-3,6-7,9-11H2,1H3
InChIKeyIAAYMDBXGARPER-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.97
Rot. Bonds6

About 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile

5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115652335) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
PubChem CID115652335
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
SMILESCC(CNCc1ccc(C#N)o1)CN1CCCC1
InChIInChI=1S/C14H21N3O/c1-12(11-17-6-2-3-7-17)9-16-10-14-5-4-13(8-15)18-14/h4-5,12,16H,2-3,6-7,9-11H2,1H3
InChIKeyIAAYMDBXGARPER-UHFFFAOYSA-N
XLogP1.97
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62992693
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957475
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 113243167
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[(3-hydroxy-4-methylpentyl)amino]methyl]furan-2-carbonitrile
CID 115654714
1,5-dimethyl-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]pyrrole-2-carbonitrile
CID 115584550
3-(4-ethylpiperazin-1-yl)-2-methyl-N-[[5-(4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 119122326
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
CID 115765798

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile (CID 115652335) is 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile is CC(CNCc1ccc(C#N)o1)CN1CCCC1.
What is the InChIKey of 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is IAAYMDBXGARPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(11-17-6-2-3-7-17)9-16-10-14-5-4-13(8-15)18-14/h4-5,12,16H,2-3,6-7,9-11H2,1H3.
What are the key properties of 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile?
5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).