(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide

C16H22N4O — CID 6536869

IUPAC(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCN1CCC/C1=N\C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H22N4O/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/b17-16-,18-15+
InChIKeyOPPLDIXFHYTSSR-YQFKSOGVSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds1

About (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide

(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide (PubChem CID 6536869) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
PubChem CID6536869
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCN1CCC/C1=N\C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H22N4O/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/b17-16-,18-15+
InChIKeyOPPLDIXFHYTSSR-YQFKSOGVSA-N
XLogP2.13
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
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

N-(1-Methyl-2-pyrrolidinylidene)-N'-phenyl-1-pyrrolidinecarboximidamide
CID 44104
Linogliride Fumarate
CID 66630041
N'-phenylmorpholine-4-carboximidamide
CID 4183808
N'-(C-methyl-N-propylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9817416
N-phenyl-N'-(C-propan-2-yl-N-propylcarbonimidoyl)morpholine-4-carboximidamide
CID 9973084
N'-(N-methyl-C-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9994303
N'-(N-ethyl-C-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9995103
N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10039025
N'-(C-ethyl-N-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10084744
N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10400393
N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10402677
N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10424218

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide (CID 6536869) is (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide is CN1CCC/C1=N\C(=N\c1ccccc1)N1CCOCC1.
What is the InChIKey of (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is OPPLDIXFHYTSSR-YQFKSOGVSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/b17-16-,18-15+.
What are the key properties of (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 286.38 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 6536869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).