2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide

C11H23N3O — CID 65250968

IUPAC2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCOCC1C
InChIInChI=1S/C11H23N3O/c1-9-8-15-7-6-14(9)5-4-11(2,3)10(12)13/h9H,4-8H2,1-3H3,(H3,12,13)
InChIKeyRHWAZYRLKXHYQC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.06
Rot. Bonds4

About 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide

2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide (PubChem CID 65250968) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide
PubChem CID65250968
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCOCC1C
InChIInChI=1S/C11H23N3O/c1-9-8-15-7-6-14(9)5-4-11(2,3)10(12)13/h9H,4-8H2,1-3H3,(H3,12,13)
InChIKeyRHWAZYRLKXHYQC-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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

4-(3-ethylmorpholin-4-yl)-2,2-dimethylbutanimidamide
CID 65252583
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
CID 106710735
2-amino-2-methyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64796610
1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol
CID 64821780
3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine
CID 65295808
4-(3,5-dimethylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 65250505
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
methyl 2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanoate
CID 79623724

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide?
The IUPAC name of 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide (CID 65250968) is 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCOCC1C.
What is the InChIKey of 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide?
The InChIKey is RHWAZYRLKXHYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-8-15-7-6-14(9)5-4-11(2,3)10(12)13/h9H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide?
2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.06, 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-(3-methylmorpholin-4-yl)butanimidamide is sourced from PubChem (CID 65250968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).