N-(2-methoxy-2-methylpropyl)methanimine

C6H13NO — CID 5385

IUPACN-(2-methoxy-2-methylpropyl)methanimine
SMILESC=NCC(C)(C)OC
InChIInChI=1S/C6H13NO/c1-6(2,8-4)5-7-3/h3,5H2,1-2,4H3
InChIKeySXMISEXJWGBHFV-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.11
Rot. Bonds3

About N-(2-methoxy-2-methylpropyl)methanimine

N-(2-methoxy-2-methylpropyl)methanimine (PubChem CID 5385) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)methanimine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)methanimine
PubChem CID5385
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-(2-methoxy-2-methylpropyl)methanimine
SMILESC=NCC(C)(C)OC
InChIInChI=1S/C6H13NO/c1-6(2,8-4)5-7-3/h3,5H2,1-2,4H3
InChIKeySXMISEXJWGBHFV-UHFFFAOYSA-N
XLogP1.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Methoxyisobutyl isonitrile
CID 130600
Oxazole, 4,5-dihydro-5,5-dimethyl-
CID 10975416
1-Isocyanato-2-methoxy-2-methylpropane
CID 15410314
5-ethyl-5-methyl-4H-1,3-oxazole
CID 126686768
N-(2-methoxypropyl)methanimine
CID 144757244
N-[(2S)-2-methoxypropyl]methanimine
CID 149294399
(2-Methoxy-2-methylpropyl)-methylidyneazanium
CID 24944772
1-Isothiocyanato-2-methoxy-2-methylpropane
CID 104762105
1-Isocyano-2-methoxy-2-methyl-propane-d3
CID 131667776
CID 175688158
CID 175688158

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)methanimine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)methanimine (CID 5385) is N-(2-methoxy-2-methylpropyl)methanimine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)methanimine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)methanimine is C=NCC(C)(C)OC.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)methanimine?
The InChIKey is SXMISEXJWGBHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2,8-4)5-7-3/h3,5H2,1-2,4H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)methanimine?
N-(2-methoxy-2-methylpropyl)methanimine has a molecular weight of 115.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)methanimine is sourced from PubChem (CID 5385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).