N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide

C22H22N4O — CID 70532858

IUPACN-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESNC(=N/C(=N/c1ccccc1)N1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H22N4O/c23-21(20-12-6-8-17-7-4-5-11-19(17)20)25-22(26-13-15-27-16-14-26)24-18-9-2-1-3-10-18/h1-12H,13-16H2,(H2,23,24,25)
InChIKeyJSKADVDMGNJHGW-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.57
Rot. Bonds2

About N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide

N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide (PubChem CID 70532858) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
PubChem CID70532858
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESNC(=N/C(=N/c1ccccc1)N1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H22N4O/c23-21(20-12-6-8-17-7-4-5-11-19(17)20)25-22(26-13-15-27-16-14-26)24-18-9-2-1-3-10-18/h1-12H,13-16H2,(H2,23,24,25)
InChIKeyJSKADVDMGNJHGW-UHFFFAOYSA-N
XLogP3.57
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
CID 146162313
CID 146162313
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
CID 23459648
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
CID 23459647
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride
CID 23459671
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
N-phenylnaphthalene-1-carboximidoyl chloride
CID 118049564
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895

Frequently Asked Questions

What is the IUPAC name of N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide (CID 70532858) is N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide is NC(=N/C(=N/c1ccccc1)N1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is JSKADVDMGNJHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-21(20-12-6-8-17-7-4-5-11-19(17)20)25-22(26-13-15-27-16-14-26)24-18-9-2-1-3-10-18/h1-12H,13-16H2,(H2,23,24,25).
What are the key properties of N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide?
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 358.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 70532858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).