3-(2,6-dimethylmorpholin-4-yl)pentanimidamide

C11H23N3O — CID 43367821

IUPAC3-(2,6-dimethylmorpholin-4-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CC(C)OC(C)C1
InChIInChI=1S/C11H23N3O/c1-4-10(5-11(12)13)14-6-8(2)15-9(3)7-14/h8-10H,4-7H2,1-3H3,(H3,12,13)
InChIKeyXMKNXZNCPHJEII-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.20
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide

3-(2,6-dimethylmorpholin-4-yl)pentanimidamide (PubChem CID 43367821) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)pentanimidamide
PubChem CID43367821
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CC(C)OC(C)C1
InChIInChI=1S/C11H23N3O/c1-4-10(5-11(12)13)14-6-8(2)15-9(3)7-14/h8-10H,4-7H2,1-3H3,(H3,12,13)
InChIKeyXMKNXZNCPHJEII-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.20
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
CID 75481075
2-[(2,5-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370583
3-Methylmorpholine-2-carboximidamide
CID 18435490
4-Morpholinobutanamidine
CID 24704187
3-(2,6-Dimethylmorpholin-4-yl)propanamidine
CID 24691585
4-(2-Methylmorpholin-4-yl)butanimidamide
CID 24700284
4-(2,6-Dimethylmorpholin-4-yl)butanimidamide
CID 24702846
3-(2-Methylmorpholin-4-yl)propanimidamide
CID 24710324
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanimidamide
CID 28174307
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanimidamide
CID 28174310
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide
CID 28200529

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide (CID 43367821) is 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide?
The InChIKey is XMKNXZNCPHJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-10(5-11(12)13)14-6-8(2)15-9(3)7-14/h8-10H,4-7H2,1-3H3,(H3,12,13).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide?
3-(2,6-dimethylmorpholin-4-yl)pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)pentanimidamide is sourced from PubChem (CID 43367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).