4-(3-methylmorpholin-4-yl)butanimidamide

C9H19N3O — CID 43542197

IUPAC4-(3-methylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCOCC1C
InChIInChI=1S/C9H19N3O/c1-8-7-13-6-5-12(8)4-2-3-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyLLFPJNOHUQYIEO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 4-(3-methylmorpholin-4-yl)butanimidamide

4-(3-methylmorpholin-4-yl)butanimidamide (PubChem CID 43542197) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)butanimidamide.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)butanimidamide
PubChem CID43542197
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-(3-methylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCOCC1C
InChIInChI=1S/C9H19N3O/c1-8-7-13-6-5-12(8)4-2-3-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyLLFPJNOHUQYIEO-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
3,3,3-Trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370582
4-Morpholinobutanamidine
CID 24704187
3-(Morpholin-4-yl)propanimidamide
CID 24711156
4-Methylmorpholine-3-carboximidamide
CID 60002795
2-Morpholin-4-ylpropanimidamide
CID 61690886
1-Morpholin-4-ylbutan-1-imine
CID 62047580
N'-(3-morpholin-4-ylpropyl)butanimidamide
CID 63175513
2-Methyl-1-morpholin-4-ylbutan-1-imine
CID 63718006
1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
CID 167020326
3-(2,6-Dimethylmorpholin-4-yl)propanamidine
CID 24691585

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)butanimidamide?
The IUPAC name of 4-(3-methylmorpholin-4-yl)butanimidamide (CID 43542197) is 4-(3-methylmorpholin-4-yl)butanimidamide.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)butanimidamide?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)butanimidamide is [H]/N=C(\N)CCCN1CCOCC1C.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)butanimidamide?
The InChIKey is LLFPJNOHUQYIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8-7-13-6-5-12(8)4-2-3-9(10)11/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 4-(3-methylmorpholin-4-yl)butanimidamide?
4-(3-methylmorpholin-4-yl)butanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)butanimidamide is sourced from PubChem (CID 43542197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).