2-(2-hydroxy-2-methylpropoxy)propanimidamide

C7H16N2O2 — CID 140888242

IUPAC2-(2-hydroxy-2-methylpropoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)OCC(C)(C)O
InChIInChI=1S/C7H16N2O2/c1-5(6(8)9)11-4-7(2,3)10/h5,10H,4H2,1-3H3,(H3,8,9)
InChIKeyXSKXMGNKVQYZDS-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.10
Rot. Bonds4

About 2-(2-hydroxy-2-methylpropoxy)propanimidamide

2-(2-hydroxy-2-methylpropoxy)propanimidamide (PubChem CID 140888242) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropoxy)propanimidamide.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropoxy)propanimidamide
PubChem CID140888242
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-(2-hydroxy-2-methylpropoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)OCC(C)(C)O
InChIInChI=1S/C7H16N2O2/c1-5(6(8)9)11-4-7(2,3)10/h5,10H,4H2,1-3H3,(H3,8,9)
InChIKeyXSKXMGNKVQYZDS-UHFFFAOYSA-N
XLogP0.10
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.10
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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Related Compounds

2-Hydroxy-3-methoxypropanimidamide
CID 57780674
2-(2-Propan-2-yloxyethoxy)ethanimidamide
CID 24703493
2-(2-Ethoxyethoxy)propanimidamide
CID 61691583
2-(2-Propan-2-yloxyethoxy)propanimidamide
CID 61691713
2-(2-Methoxyethoxy)propanimidamide
CID 61691717
2-(2-Butoxyethoxy)propanimidamide
CID 61692171
N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 61692264
2-[(2-Methylpropan-2-yl)oxy]propanimidamide
CID 61692298
2-(2-Propan-2-yloxyethoxy)butanimidamide
CID 61698215
2-(2-Methoxyethoxy)butanimidamide
CID 61698522
2-(2-Ethoxyethoxy)butanimidamide
CID 61698584
2-(2-Propoxyethoxy)propanimidamide
CID 63685286

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropoxy)propanimidamide?
The IUPAC name of 2-(2-hydroxy-2-methylpropoxy)propanimidamide (CID 140888242) is 2-(2-hydroxy-2-methylpropoxy)propanimidamide.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropoxy)propanimidamide?
The canonical SMILES for 2-(2-hydroxy-2-methylpropoxy)propanimidamide is [H]/N=C(\N)C(C)OCC(C)(C)O.
What is the InChIKey of 2-(2-hydroxy-2-methylpropoxy)propanimidamide?
The InChIKey is XSKXMGNKVQYZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(6(8)9)11-4-7(2,3)10/h5,10H,4H2,1-3H3,(H3,8,9).
What are the key properties of 2-(2-hydroxy-2-methylpropoxy)propanimidamide?
2-(2-hydroxy-2-methylpropoxy)propanimidamide has a molecular weight of 160.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropoxy)propanimidamide is sourced from PubChem (CID 140888242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).