N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide

C18H26N4O — CID 70452833

IUPACN'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide
SMILESc1ccc(N/C(=N\C2=N\CCCCCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H26N4O/c1-2-7-11-19-17(10-6-1)21-18(22-12-14-23-15-13-22)20-16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2,(H,19,20,21)
InChIKeyZFSXOTZSYKNZRO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.15
Rot. Bonds1

About N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide

N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide (PubChem CID 70452833) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide
PubChem CID70452833
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide
SMILESc1ccc(N/C(=N\C2=N\CCCCCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H26N4O/c1-2-7-11-19-17(10-6-1)21-18(22-12-14-23-15-13-22)20-16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2,(H,19,20,21)
InChIKeyZFSXOTZSYKNZRO-UHFFFAOYSA-N
XLogP3.15
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.15
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'}

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Related Compounds

N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70538717
N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide
CID 70592377
N-phenylmorpholine-4-carbothioamide
CID 139054920
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N-methyl-N-(phenylcarbamoyl)morpholine-4-carboxamide
CID 12876147
N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]-N-phenylacetamide
CID 9391214
N-morpholin-4-yl-N-(phenylcarbamoyl)formamide
CID 174345138
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide?
The IUPAC name of N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide (CID 70452833) is N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide is c1ccc(N/C(=N\C2=N\CCCCCC2)N2CCOCC2)cc1.
What is the InChIKey of N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide?
The InChIKey is ZFSXOTZSYKNZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-7-11-19-17(10-6-1)21-18(22-12-14-23-15-13-22)20-16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2,(H,19,20,21).
What are the key properties of N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide?
N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide has a molecular weight of 314.43 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 70452833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).