2-(3,3-dimethylmorpholin-4-yl)ethanimidamide

C8H17N3O — CID 61432587

IUPAC2-(3,3-dimethylmorpholin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCOCC1(C)C
InChIInChI=1S/C8H17N3O/c1-8(2)6-12-4-3-11(8)5-7(9)10/h3-6H2,1-2H3,(H3,9,10)
InChIKeyHELVPCWRWKICJZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.03
Rot. Bonds2

About 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide

2-(3,3-dimethylmorpholin-4-yl)ethanimidamide (PubChem CID 61432587) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)ethanimidamide
PubChem CID61432587
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCOCC1(C)C
InChIInChI=1S/C8H17N3O/c1-8(2)6-12-4-3-11(8)5-7(9)10/h3-6H2,1-2H3,(H3,9,10)
InChIKeyHELVPCWRWKICJZ-UHFFFAOYSA-N
XLogP0.03
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide (CID 61432587) is 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide is [H]/N=C(\N)CN1CCOCC1(C)C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide?
The InChIKey is HELVPCWRWKICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2)6-12-4-3-11(8)5-7(9)10/h3-6H2,1-2H3,(H3,9,10).
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide?
2-(3,3-dimethylmorpholin-4-yl)ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)ethanimidamide is sourced from PubChem (CID 61432587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).