2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride

C21H35ClN2 — CID 46212023

IUPAC2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
SMILESCCCCCCCCCN1CCN2CCc3ccccc3C2C1.Cl
InChIInChI=1S/C21H34N2.ClH/c1-2-3-4-5-6-7-10-14-22-16-17-23-15-13-19-11-8-9-12-20(19)21(23)18-22;/h8-9,11-12,21H,2-7,10,13-18H2,1H3;1H
InChIKeyMDNYMVCHEACLOD-UHFFFAOYSA-N
MW350.98 g/mol
LogP5.07
Rot. Bonds8

About 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride

2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride (PubChem CID 46212023) has the molecular formula C21H35ClN2 and a molecular weight of 350.98 g/mol. Its IUPAC name is 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
PubChem CID46212023
Molecular FormulaC21H35ClN2
Molecular Weight350.98 g/mol
Exact Mass350.25
IUPAC Name2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
SMILESCCCCCCCCCN1CCN2CCc3ccccc3C2C1.Cl
InChIInChI=1S/C21H34N2.ClH/c1-2-3-4-5-6-7-10-14-22-16-17-23-15-13-19-11-8-9-12-20(19)21(23)18-22;/h8-9,11-12,21H,2-7,10,13-18H2,1H3;1H
InChIKeyMDNYMVCHEACLOD-UHFFFAOYSA-N
XLogP5.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.98
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride with MolForge

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Related Compounds

10-fluoro-2-heptyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
CID 46853897
9,10-dimethoxy-2-octyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
CID 46212027
2-heptyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 46855998
(7S,11bR)-2-hexyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride
CID 13457914
3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethylpropan-1-amine
CID 23456512
3-(3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-N-ethyl-N-methylpropan-1-amine
CID 23456550
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 21135993
N-butan-2-yl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline-2-carboxamide
CID 110629459
3-butyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 19093629
4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 23381499

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
The IUPAC name of 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride (CID 46212023) is 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride.
What is the SMILES notation for 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
The canonical SMILES for 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride is CCCCCCCCCN1CCN2CCc3ccccc3C2C1.Cl.
What is the InChIKey of 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
The InChIKey is MDNYMVCHEACLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2.ClH/c1-2-3-4-5-6-7-10-14-22-16-17-23-15-13-19-11-8-9-12-20(19)21(23)18-22;/h8-9,11-12,21H,2-7,10,13-18H2,1H3;1H.
What are the key properties of 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride has a molecular weight of 350.98 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride is sourced from PubChem (CID 46212023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).