4-(2,2-dimethylmorpholin-4-yl)butanimidamide

C10H21N3O — CID 43592886

IUPAC4-(2,2-dimethylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCOC(C)(C)C1
InChIInChI=1S/C10H21N3O/c1-10(2)8-13(6-7-14-10)5-3-4-9(11)12/h3-8H2,1-2H3,(H3,11,12)
InChIKeyOVIYNMFIIIWLSO-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds4

About 4-(2,2-dimethylmorpholin-4-yl)butanimidamide

4-(2,2-dimethylmorpholin-4-yl)butanimidamide (PubChem CID 43592886) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)butanimidamide.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)butanimidamide
PubChem CID43592886
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCOC(C)(C)C1
InChIInChI=1S/C10H21N3O/c1-10(2)8-13(6-7-14-10)5-3-4-9(11)12/h3-8H2,1-2H3,(H3,11,12)
InChIKeyOVIYNMFIIIWLSO-UHFFFAOYSA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
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
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
4-Morpholinobutanamidine
CID 24704187
2-Methyl-1-morpholin-4-ylpropan-1-imine
CID 57640524
1-Morpholin-4-ylbutan-1-imine
CID 62047580
1-(2,6-Dimethylmorpholin-4-yl)propan-1-imine
CID 62047937
N'-(3-morpholin-4-ylpropyl)butanimidamide
CID 63175513
2-Methyl-1-morpholin-4-ylbutan-1-imine
CID 63718006
3-[(2-Methoxy-2-methylpropyl)-methylamino]propanimidamide
CID 123365452
1-[(2S,6R)-2,6-di(propan-2-yl)morpholin-4-yl]ethanimine
CID 157924692

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)butanimidamide?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)butanimidamide (CID 43592886) is 4-(2,2-dimethylmorpholin-4-yl)butanimidamide.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)butanimidamide?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)butanimidamide is [H]/N=C(\N)CCCN1CCOC(C)(C)C1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)butanimidamide?
The InChIKey is OVIYNMFIIIWLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2)8-13(6-7-14-10)5-3-4-9(11)12/h3-8H2,1-2H3,(H3,11,12).
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)butanimidamide?
4-(2,2-dimethylmorpholin-4-yl)butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)butanimidamide is sourced from PubChem (CID 43592886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).