2-propan-2-yloxetan-3-imine

C6H11NO — CID 163879147

IUPAC2-propan-2-yloxetan-3-imine
SMILES[H]/N=C1\COC1C(C)C
InChIInChI=1S/C6H11NO/c1-4(2)6-5(7)3-8-6/h4,6-7H,3H2,1-2H3/b7-5+
InChIKeyPROBFNUHJAIIAK-FNORWQNLSA-N
MW113.16 g/mol
LogP1.06
Rot. Bonds1

About 2-propan-2-yloxetan-3-imine

2-propan-2-yloxetan-3-imine (PubChem CID 163879147) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-propan-2-yloxetan-3-imine.

Molecular Properties

Compound Name2-propan-2-yloxetan-3-imine
PubChem CID163879147
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-propan-2-yloxetan-3-imine
SMILES[H]/N=C1\COC1C(C)C
InChIInChI=1S/C6H11NO/c1-4(2)6-5(7)3-8-6/h4,6-7H,3H2,1-2H3/b7-5+
InChIKeyPROBFNUHJAIIAK-FNORWQNLSA-N
XLogP1.06
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-(3-methyloxiran-2-yl)propan-1-imine
CID 123629850
2-(3-Imino-4-methylpentan-2-yl)oxy-4-methylpentan-3-imine
CID 150189405
5-Methyloxan-3-imine
CID 163984205
4-Propan-2-yloxetan-2-imine
CID 167184679
1-Methoxy-4-methylpentan-2-imine
CID 169266102

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxetan-3-imine?
The IUPAC name of 2-propan-2-yloxetan-3-imine (CID 163879147) is 2-propan-2-yloxetan-3-imine.
What is the SMILES notation for 2-propan-2-yloxetan-3-imine?
The canonical SMILES for 2-propan-2-yloxetan-3-imine is [H]/N=C1\COC1C(C)C.
What is the InChIKey of 2-propan-2-yloxetan-3-imine?
The InChIKey is PROBFNUHJAIIAK-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO/c1-4(2)6-5(7)3-8-6/h4,6-7H,3H2,1-2H3/b7-5+.
What are the key properties of 2-propan-2-yloxetan-3-imine?
2-propan-2-yloxetan-3-imine has a molecular weight of 113.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxetan-3-imine is sourced from PubChem (CID 163879147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).