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

C9H19N3O — CID 43592885

IUPAC3-(2,2-dimethylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCOC(C)(C)C1
InChIInChI=1S/C9H19N3O/c1-9(2)7-12(5-6-13-9)4-3-8(10)11/h3-7H2,1-2H3,(H3,10,11)
InChIKeyOUPBUPQMRIFZKR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds3

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

3-(2,2-dimethylmorpholin-4-yl)propanimidamide (PubChem CID 43592885) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)propanimidamide.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)propanimidamide
PubChem CID43592885
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCOC(C)(C)C1
InChIInChI=1S/C9H19N3O/c1-9(2)7-12(5-6-13-9)4-3-8(10)11/h3-7H2,1-2H3,(H3,10,11)
InChIKeyOUPBUPQMRIFZKR-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.42
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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Related Compounds

3-(2,6-Dimethylmorpholin-4-yl)propanimidamide dihydrochloride
CID 45792411
4-Methylmorpholine-2-carboximidamide dihydrochloride
CID 132300787
4-Methylmorpholine-2-carboximidamide
CID 75481075
4-(3-Fluoropropyl)morpholine-2-carboximidamide
CID 81106733
2-[(2,6-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370528
3,3,3-Trifluoro-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370531
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide
CID 103370837
3,3,3-Trifluoro-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide
CID 103370844
2-[(2-Ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 113808120
2-[(2,2-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 113808126
3,3,3-Trifluoro-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide
CID 113808144
2-Methylmorpholine-2-carboximidamide
CID 18435486

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)propanimidamide?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)propanimidamide (CID 43592885) is 3-(2,2-dimethylmorpholin-4-yl)propanimidamide.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)propanimidamide?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)propanimidamide is [H]/N=C(\N)CCN1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)propanimidamide?
The InChIKey is OUPBUPQMRIFZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2)7-12(5-6-13-9)4-3-8(10)11/h3-7H2,1-2H3,(H3,10,11).
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)propanimidamide?
3-(2,2-dimethylmorpholin-4-yl)propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)propanimidamide is sourced from PubChem (CID 43592885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).