2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)

C11H21N2Y+2 — CID 23593660

IUPAC2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
SMILES[CH2-]CCN1CCN2CCCCC2C1.[Y+3]
InChIInChI=1S/C11H21N2.Y/c1-2-6-12-8-9-13-7-4-3-5-11(13)10-12;/h11H,1-10H2;/q-1;+3
InChIKeyMMJZUWBNXUFDKL-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.38
Rot. Bonds2

About 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)

2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+) (PubChem CID 23593660) has the molecular formula C11H21N2Y+2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+).

Molecular Properties

Compound Name2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
PubChem CID23593660
Molecular FormulaC11H21N2Y+2
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
SMILES[CH2-]CCN1CCN2CCCCC2C1.[Y+3]
InChIInChI=1S/C11H21N2.Y/c1-2-6-12-8-9-13-7-4-3-5-11(13)10-12;/h11H,1-10H2;/q-1;+3
InChIKeyMMJZUWBNXUFDKL-UHFFFAOYSA-N
XLogP1.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+) with MolForge

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Related Compounds

2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,N-dimethylpropan-1-amine
CID 115824853
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
2-(2-chloroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
CID 159084845
2-(2-pyrrolidin-2-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935982
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112
2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935954
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylpropan-2-amine
CID 79931860
2-(4-methoxybutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115277631
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpropan-1-amine
CID 79931937
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(dicyclopropylmethyl)ethanamine
CID 79917075
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine
CID 79935542

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)?
The IUPAC name of 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+) (CID 23593660) is 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+).
What is the SMILES notation for 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)?
The canonical SMILES for 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+) is [CH2-]CCN1CCN2CCCCC2C1.[Y+3].
What is the InChIKey of 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)?
The InChIKey is MMJZUWBNXUFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2.Y/c1-2-6-12-8-9-13-7-4-3-5-11(13)10-12;/h11H,1-10H2;/q-1;+3.
What are the key properties of 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)?
2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+) has a molecular weight of 270.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+) is sourced from PubChem (CID 23593660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).