5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile

C14H19N3O — CID 115652268

IUPAC5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC2CCN3CCCC3C2)o1
InChIInChI=1S/C14H19N3O/c15-9-13-3-4-14(18-13)10-16-11-5-7-17-6-1-2-12(17)8-11/h3-4,11-12,16H,1-2,5-8,10H2
InChIKeyXWGSUGGUISYYJE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.87
Rot. Bonds3

About 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile

5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile (PubChem CID 115652268) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
PubChem CID115652268
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNC2CCN3CCCC3C2)o1
InChIInChI=1S/C14H19N3O/c15-9-13-3-4-14(18-13)10-16-11-5-7-17-6-1-2-12(17)8-11/h3-4,11-12,16H,1-2,5-8,10H2
InChIKeyXWGSUGGUISYYJE-UHFFFAOYSA-N
XLogP1.87
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile with MolForge

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Related Compounds

5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
CID 115652643
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
CID 102610289
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-2-carbonitrile
CID 115652912
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107236024
[1-[4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 109395470
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565

Frequently Asked Questions

What is the IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile (CID 115652268) is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNC2CCN3CCCC3C2)o1.
What is the InChIKey of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile?
The InChIKey is XWGSUGGUISYYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-13-3-4-14(18-13)10-16-11-5-7-17-6-1-2-12(17)8-11/h3-4,11-12,16H,1-2,5-8,10H2.
What are the key properties of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile?
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).