N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide

C16H25IN4O — CID 111055482

IUPACN'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCN1CCc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C16H24N4O.HI/c17-16(20-9-11-21-12-10-20)18-6-8-19-7-5-14-3-1-2-4-15(14)13-19;/h1-4H,5-13H2,(H2,17,18);1H
InChIKeyCANQPHQYZOPSPE-UHFFFAOYSA-N
MW416.31 g/mol
LogP1.31
Rot. Bonds3

About N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111055482) has the molecular formula C16H25IN4O and a molecular weight of 416.31 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111055482
Molecular FormulaC16H25IN4O
Molecular Weight416.31 g/mol
Exact Mass416.11
IUPAC NameN'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCN1CCc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C16H24N4O.HI/c17-16(20-9-11-21-12-10-20)18-6-8-19-7-5-14-3-1-2-4-15(14)13-19;/h1-4H,5-13H2,(H2,17,18);1H
InChIKeyCANQPHQYZOPSPE-UHFFFAOYSA-N
XLogP1.31
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]guanidine;hydroiodide
CID 110914892
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 109015672
N-ethyl-N'-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947025
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775
N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
CID 111083219
2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine
CID 4686823
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726092
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111821880
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-prop-2-enylguanidine
CID 137156939
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110911923
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 111055482) is N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCN1CCc2ccccc2C1)N1CCOCC1.
What is the InChIKey of N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is CANQPHQYZOPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.HI/c17-16(20-9-11-21-12-10-20)18-6-8-19-7-5-14-3-1-2-4-15(14)13-19;/h1-4H,5-13H2,(H2,17,18);1H.
What are the key properties of N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111055482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).