(NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide

C15H22N4O — CID 10468596

IUPAC(NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCC(C)/C(N)=N\C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H22N4O/c1-12(2)14(16)18-15(19-8-10-20-11-9-19)17-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyJASBBOGTFRNYCE-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.02
Rot. Bonds2

About (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide

(NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide (PubChem CID 10468596) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide
PubChem CID10468596
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCC(C)/C(N)=N\C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H22N4O/c1-12(2)14(16)18-15(19-8-10-20-11-9-19)17-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyJASBBOGTFRNYCE-UHFFFAOYSA-N
XLogP2.02
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide (CID 10468596) is (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide is CC(C)/C(N)=N\C(=N/c1ccccc1)N1CCOCC1.
What is the InChIKey of (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is JASBBOGTFRNYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)14(16)18-15(19-8-10-20-11-9-19)17-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,16,17,18).
What are the key properties of (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide?
(NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 274.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-amino-2-methylpropylidene)-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10468596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).