N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C13H24N2O — CID 83228828

IUPACN-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CCC(ONC2CCN3CCCCC23)C1
InChIInChI=1S/C13H24N2O/c1-2-6-11(5-1)16-14-12-8-10-15-9-4-3-7-13(12)15/h11-14H,1-10H2
InChIKeyYPLYWCUYLBBBBT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds3

About N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 83228828) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID83228828
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CCC(ONC2CCN3CCCCC23)C1
InChIInChI=1S/C13H24N2O/c1-2-6-11(5-1)16-14-12-8-10-15-9-4-3-7-13(12)15/h11-14H,1-10H2
InChIKeyYPLYWCUYLBBBBT-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)oxyacetamide
CID 112672836
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104574898
trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol
CID 102733298
N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83229685
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide
CID 106004507
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-cyclopropylthiourea
CID 115583468
N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62311545

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 83228828) is N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is C1CCC(ONC2CCN3CCCCC23)C1.
What is the InChIKey of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is YPLYWCUYLBBBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-6-11(5-1)16-14-12-8-10-15-9-4-3-7-13(12)15/h11-14H,1-10H2.
What are the key properties of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 83228828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).