3-(2-methylmorpholin-4-yl)propanimidamide

C8H17N3O — CID 24710324

IUPAC3-(2-methylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCOC(C)C1
InChIInChI=1S/C8H17N3O/c1-7-6-11(4-5-12-7)3-2-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyIHCYGXMYLSFHJU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.03
Rot. Bonds3

About 3-(2-methylmorpholin-4-yl)propanimidamide

3-(2-methylmorpholin-4-yl)propanimidamide (PubChem CID 24710324) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-methylmorpholin-4-yl)propanimidamide.

Molecular Properties

Compound Name3-(2-methylmorpholin-4-yl)propanimidamide
PubChem CID24710324
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(2-methylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCOC(C)C1
InChIInChI=1S/C8H17N3O/c1-7-6-11(4-5-12-7)3-2-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyIHCYGXMYLSFHJU-UHFFFAOYSA-N
XLogP0.03
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 3-(2-methylmorpholin-4-yl)propanimidamide?
The IUPAC name of 3-(2-methylmorpholin-4-yl)propanimidamide (CID 24710324) is 3-(2-methylmorpholin-4-yl)propanimidamide.
What is the SMILES notation for 3-(2-methylmorpholin-4-yl)propanimidamide?
The canonical SMILES for 3-(2-methylmorpholin-4-yl)propanimidamide is [H]/N=C(\N)CCN1CCOC(C)C1.
What is the InChIKey of 3-(2-methylmorpholin-4-yl)propanimidamide?
The InChIKey is IHCYGXMYLSFHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7-6-11(4-5-12-7)3-2-8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-(2-methylmorpholin-4-yl)propanimidamide?
3-(2-methylmorpholin-4-yl)propanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylmorpholin-4-yl)propanimidamide is sourced from PubChem (CID 24710324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).