2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile

C14H23N3 — CID 62741172

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CCN2CCCCC12
InChIInChI=1S/C14H23N3/c15-10-11-4-3-5-12(11)16-13-7-9-17-8-2-1-6-14(13)17/h11-14,16H,1-9H2
InChIKeyPGSPAVAWWGUNSU-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds2

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile (PubChem CID 62741172) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile
PubChem CID62741172
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CCN2CCCCC12
InChIInChI=1S/C14H23N3/c15-10-11-4-3-5-12(11)16-13-7-9-17-8-2-1-6-14(13)17/h11-14,16H,1-9H2
InChIKeyPGSPAVAWWGUNSU-UHFFFAOYSA-N
XLogP1.90
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile (CID 62741172) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NC1CCN2CCCCC12.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is PGSPAVAWWGUNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c15-10-11-4-3-5-12(11)16-13-7-9-17-8-2-1-6-14(13)17/h11-14,16H,1-9H2.
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 233.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).