3-[(2-methylpropan-2-yl)oxy]propanimidamide

C7H16N2O — CID 29002991

IUPAC3-[(2-methylpropan-2-yl)oxy]propanimidamide
SMILES[H]/N=C(\N)CCOC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H3,8,9)
InChIKeyCNULOTKRQSIKDL-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.13
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]propanimidamide

3-[(2-methylpropan-2-yl)oxy]propanimidamide (PubChem CID 29002991) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]propanimidamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]propanimidamide
PubChem CID29002991
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-[(2-methylpropan-2-yl)oxy]propanimidamide
SMILES[H]/N=C(\N)CCOC(C)(C)C
InChIInChI=1S/C7H16N2O/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H3,8,9)
InChIKeyCNULOTKRQSIKDL-UHFFFAOYSA-N
XLogP1.13
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[(2-methylpropan-2-yl)oxy]propanimidamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propanimidamide (CID 29002991) is 3-[(2-methylpropan-2-yl)oxy]propanimidamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]propanimidamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]propanimidamide is [H]/N=C(\N)CCOC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]propanimidamide?
The InChIKey is CNULOTKRQSIKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H3,8,9).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]propanimidamide?
3-[(2-methylpropan-2-yl)oxy]propanimidamide has a molecular weight of 144.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]propanimidamide is sourced from PubChem (CID 29002991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).