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

C13H24N2O — CID 83229685

IUPACN-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESC1CCC(ONC2CCN3CCCC3C2)C1
InChIInChI=1S/C13H24N2O/c1-2-6-13(5-1)16-14-11-7-9-15-8-3-4-12(15)10-11/h11-14H,1-10H2
InChIKeyDZAFRYOPQVWACT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds3

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

N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 83229685) 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-7-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID83229685
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESC1CCC(ONC2CCN3CCCC3C2)C1
InChIInChI=1S/C13H24N2O/c1-2-6-13(5-1)16-14-11-7-9-15-8-3-4-12(15)10-11/h11-14H,1-10H2
InChIKeyDZAFRYOPQVWACT-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

N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 82711105
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728592
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-cyclopropylthiourea
CID 115583574
N-methoxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine
CID 177217356
N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 83228828
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 79618405
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
N-(3-propan-2-ylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847608
N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 113361626
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
4-(cyclopentyloxyamino)piperidine-1-carboxamide
CID 83229446

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 83229685) is N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is C1CCC(ONC2CCN3CCCC3C2)C1.
What is the InChIKey of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is DZAFRYOPQVWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-6-13(5-1)16-14-11-7-9-15-8-3-4-12(15)10-11/h11-14H,1-10H2.
What are the key properties of N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-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-7-amine is sourced from PubChem (CID 83229685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).