(2-ethoxy-2-methylpropyl)-methanidylazanium

C7H17NO — CID 155624717

IUPAC(2-ethoxy-2-methylpropyl)-methanidylazanium
SMILES[CH2-][NH2+]CC(C)(C)OCC
InChIInChI=1S/C7H17NO/c1-5-9-7(2,3)6-8-4/h4-6,8H2,1-3H3
InChIKeySZVWUKOFCKXZGQ-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.16
Rot. Bonds4

About (2-ethoxy-2-methylpropyl)-methanidylazanium

(2-ethoxy-2-methylpropyl)-methanidylazanium (PubChem CID 155624717) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2-ethoxy-2-methylpropyl)-methanidylazanium.

Molecular Properties

Compound Name(2-ethoxy-2-methylpropyl)-methanidylazanium
PubChem CID155624717
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2-ethoxy-2-methylpropyl)-methanidylazanium
SMILES[CH2-][NH2+]CC(C)(C)OCC
InChIInChI=1S/C7H17NO/c1-5-9-7(2,3)6-8-4/h4-6,8H2,1-3H3
InChIKeySZVWUKOFCKXZGQ-UHFFFAOYSA-N
XLogP0.16
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-methylpropyl)-methanidylazanium?
The IUPAC name of (2-ethoxy-2-methylpropyl)-methanidylazanium (CID 155624717) is (2-ethoxy-2-methylpropyl)-methanidylazanium.
What is the SMILES notation for (2-ethoxy-2-methylpropyl)-methanidylazanium?
The canonical SMILES for (2-ethoxy-2-methylpropyl)-methanidylazanium is [CH2-][NH2+]CC(C)(C)OCC.
What is the InChIKey of (2-ethoxy-2-methylpropyl)-methanidylazanium?
The InChIKey is SZVWUKOFCKXZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-9-7(2,3)6-8-4/h4-6,8H2,1-3H3.
What are the key properties of (2-ethoxy-2-methylpropyl)-methanidylazanium?
(2-ethoxy-2-methylpropyl)-methanidylazanium has a molecular weight of 131.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-methylpropyl)-methanidylazanium is sourced from PubChem (CID 155624717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).