2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide

C11H23N3O — CID 62364125

IUPAC2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\N)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C11H23N3O/c1-5-6-13-10(12)14-7-9(2)15-11(3,4)8-14/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyQSZFCPNFQGOGRK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds2

About 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide

2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide (PubChem CID 62364125) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide
PubChem CID62364125
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide
SMILESCCC/N=C(\N)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C11H23N3O/c1-5-6-13-10(12)14-7-9(2)15-11(3,4)8-14/h9H,5-8H2,1-4H3,(H2,12,13)
InChIKeyQSZFCPNFQGOGRK-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
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 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
The IUPAC name of 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide (CID 62364125) is 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide.
What is the SMILES notation for 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
The canonical SMILES for 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide is CCC/N=C(\N)N1CC(C)OC(C)(C)C1.
What is the InChIKey of 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
The InChIKey is QSZFCPNFQGOGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-6-13-10(12)14-7-9(2)15-11(3,4)8-14/h9H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide?
2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N'-propylmorpholine-4-carboximidamide is sourced from PubChem (CID 62364125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).