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

C9H19N3O — CID 43542194

IUPAC2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOCC1C
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)5-12-3-4-13-6-8(12)2/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyVYTKCINCBONOTH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.28
Rot. Bonds3

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

2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide (PubChem CID 43542194) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
PubChem CID43542194
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOCC1C
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)5-12-3-4-13-6-8(12)2/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyVYTKCINCBONOTH-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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
3,3,3-Trifluoro-2-(morpholin-4-ylmethyl)propanimidamide
CID 103370523
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
3,3,3-Trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370582
2-[(2,5-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370583
2-[(3-Ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370593
2-[(3,3-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370629
3,3,3-Trifluoro-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370647
2-[[Ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370676
3,3,3-Trifluoro-2-[[2-methoxyethyl(propan-2-yl)amino]methyl]propanimidamide
CID 103370809
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide
CID 103370837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide (CID 43542194) is 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide is [H]/N=C(\N)C(C)CN1CCOCC1C.
What is the InChIKey of 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
The InChIKey is VYTKCINCBONOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(10)11)5-12-3-4-13-6-8(12)2/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide?
2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide is sourced from PubChem (CID 43542194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).