(2-methoxy-2-methylpropyl)-methylidyneazanium

C6H12NO+ — CID 24944772

IUPAC(2-methoxy-2-methylpropyl)-methylidyneazanium
SMILESC#[N+]CC(C)(C)OC
InChIInChI=1S/C6H12NO/c1-6(2,8-4)5-7-3/h3H,5H2,1-2,4H3/q+1
InChIKeyDACLEJFMDCLICZ-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.37
Rot. Bonds2

About (2-methoxy-2-methylpropyl)-methylidyneazanium

(2-methoxy-2-methylpropyl)-methylidyneazanium (PubChem CID 24944772) has the molecular formula C6H12NO+ and a molecular weight of 114.17 g/mol. Its IUPAC name is (2-methoxy-2-methylpropyl)-methylidyneazanium.

Molecular Properties

Compound Name(2-methoxy-2-methylpropyl)-methylidyneazanium
PubChem CID24944772
Molecular FormulaC6H12NO+
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name(2-methoxy-2-methylpropyl)-methylidyneazanium
SMILESC#[N+]CC(C)(C)OC
InChIInChI=1S/C6H12NO/c1-6(2,8-4)5-7-3/h3H,5H2,1-2,4H3/q+1
InChIKeyDACLEJFMDCLICZ-UHFFFAOYSA-N
XLogP1.37
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-methylpropyl)-methylidyneazanium?
The IUPAC name of (2-methoxy-2-methylpropyl)-methylidyneazanium (CID 24944772) is (2-methoxy-2-methylpropyl)-methylidyneazanium.
What is the SMILES notation for (2-methoxy-2-methylpropyl)-methylidyneazanium?
The canonical SMILES for (2-methoxy-2-methylpropyl)-methylidyneazanium is C#[N+]CC(C)(C)OC.
What is the InChIKey of (2-methoxy-2-methylpropyl)-methylidyneazanium?
The InChIKey is DACLEJFMDCLICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO/c1-6(2,8-4)5-7-3/h3H,5H2,1-2,4H3/q+1.
What are the key properties of (2-methoxy-2-methylpropyl)-methylidyneazanium?
(2-methoxy-2-methylpropyl)-methylidyneazanium has a molecular weight of 114.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-methylpropyl)-methylidyneazanium is sourced from PubChem (CID 24944772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).