2,2-dimethyl-4-morpholin-4-ylbutanimidamide

C10H21N3O — CID 65250856

IUPAC2,2-dimethyl-4-morpholin-4-ylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C10H21N3O/c1-10(2,9(11)12)3-4-13-5-7-14-8-6-13/h3-8H2,1-2H3,(H3,11,12)
InChIKeyYAIKATOBKWBWIR-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds4

About 2,2-dimethyl-4-morpholin-4-ylbutanimidamide

2,2-dimethyl-4-morpholin-4-ylbutanimidamide (PubChem CID 65250856) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-morpholin-4-ylbutanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-morpholin-4-ylbutanimidamide
PubChem CID65250856
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2,2-dimethyl-4-morpholin-4-ylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C10H21N3O/c1-10(2,9(11)12)3-4-13-5-7-14-8-6-13/h3-8H2,1-2H3,(H3,11,12)
InChIKeyYAIKATOBKWBWIR-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-morpholin-4-ylbutanimidamide?
The IUPAC name of 2,2-dimethyl-4-morpholin-4-ylbutanimidamide (CID 65250856) is 2,2-dimethyl-4-morpholin-4-ylbutanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-morpholin-4-ylbutanimidamide?
The canonical SMILES for 2,2-dimethyl-4-morpholin-4-ylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-4-morpholin-4-ylbutanimidamide?
The InChIKey is YAIKATOBKWBWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,9(11)12)3-4-13-5-7-14-8-6-13/h3-8H2,1-2H3,(H3,11,12).
What are the key properties of 2,2-dimethyl-4-morpholin-4-ylbutanimidamide?
2,2-dimethyl-4-morpholin-4-ylbutanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-morpholin-4-ylbutanimidamide is sourced from PubChem (CID 65250856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).