4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide

C11H25N3O — CID 79387018

IUPAC4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)CC(C)(C)O
InChIInChI=1S/C11H25N3O/c1-10(2,9(12)13)6-7-14(5)8-11(3,4)15/h15H,6-8H2,1-5H3,(H3,12,13)
InChIKeyZVPVXVBAVFKDJD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.04
Rot. Bonds6

About 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide

4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide (PubChem CID 79387018) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
PubChem CID79387018
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)CC(C)(C)O
InChIInChI=1S/C11H25N3O/c1-10(2,9(12)13)6-7-14(5)8-11(3,4)15/h15H,6-8H2,1-5H3,(H3,12,13)
InChIKeyZVPVXVBAVFKDJD-UHFFFAOYSA-N
XLogP1.04
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
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 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide (CID 79387018) is 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(C)CC(C)(C)O.
What is the InChIKey of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
The InChIKey is ZVPVXVBAVFKDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(2,9(12)13)6-7-14(5)8-11(3,4)15/h15H,6-8H2,1-5H3,(H3,12,13).
What are the key properties of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide?
4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 79387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).