azetidin-1-yl N-tert-butylmethanimidate

C8H16N2O — CID 58789176

IUPACazetidin-1-yl N-tert-butylmethanimidate
SMILESCC(C)(C)/N=C/ON1CCC1
InChIInChI=1S/C8H16N2O/c1-8(2,3)9-7-11-10-5-4-6-10/h7H,4-6H2,1-3H3/b9-7+
InChIKeyGMIIWXHSMCFWNK-VQHVLOKHSA-N
MW156.23 g/mol
LogP1.45
Rot. Bonds2

About azetidin-1-yl N-tert-butylmethanimidate

azetidin-1-yl N-tert-butylmethanimidate (PubChem CID 58789176) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is azetidin-1-yl N-tert-butylmethanimidate.

Molecular Properties

Compound Nameazetidin-1-yl N-tert-butylmethanimidate
PubChem CID58789176
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameazetidin-1-yl N-tert-butylmethanimidate
SMILESCC(C)(C)/N=C/ON1CCC1
InChIInChI=1S/C8H16N2O/c1-8(2,3)9-7-11-10-5-4-6-10/h7H,4-6H2,1-3H3/b9-7+
InChIKeyGMIIWXHSMCFWNK-VQHVLOKHSA-N
XLogP1.45
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
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

N-tert-butyl-1-pyrrolidin-1-ylmethanimine
CID 551065
N-tert-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine
CID 117060772
N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
CID 100938866
N-tert-butyl-1-(1-methylcyclopentyl)methanimine
CID 11019239
1,2-ditert-butylpyrazolidine
CID 5242023
1-methoxypiperidine
CID 19831385
N,1-ditert-butylpyrrolidin-2-imine
CID 156516446
(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine
CID 155476105
tert-butyl formate;1-(4-fluorophenoxy)azetidine
CID 174738741
N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
CID 165163690
(3-oxopiperidin-1-yl) 4-methylbenzenesulfonate
CID 87566244
pyrrolidin-1-yl N-tert-butylcarbamate
CID 23289140

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl N-tert-butylmethanimidate?
The IUPAC name of azetidin-1-yl N-tert-butylmethanimidate (CID 58789176) is azetidin-1-yl N-tert-butylmethanimidate.
What is the SMILES notation for azetidin-1-yl N-tert-butylmethanimidate?
The canonical SMILES for azetidin-1-yl N-tert-butylmethanimidate is CC(C)(C)/N=C/ON1CCC1.
What is the InChIKey of azetidin-1-yl N-tert-butylmethanimidate?
The InChIKey is GMIIWXHSMCFWNK-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)9-7-11-10-5-4-6-10/h7H,4-6H2,1-3H3/b9-7+.
What are the key properties of azetidin-1-yl N-tert-butylmethanimidate?
azetidin-1-yl N-tert-butylmethanimidate has a molecular weight of 156.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl N-tert-butylmethanimidate is sourced from PubChem (CID 58789176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).