7-methyl-1,5-oxazocan-3-imine

C7H14N2O — CID 166948573

IUPAC7-methyl-1,5-oxazocan-3-imine
SMILES[H]/N=C1/CNCC(C)COC1
InChIInChI=1S/C7H14N2O/c1-6-2-9-3-7(8)5-10-4-6/h6,8-9H,2-5H2,1H3/b8-7-
InChIKeyWDQZCYYGKYOADY-FPLPWBNLSA-N
MW142.20 g/mol
LogP0.26
Rot. Bonds

About 7-methyl-1,5-oxazocan-3-imine

7-methyl-1,5-oxazocan-3-imine (PubChem CID 166948573) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 7-methyl-1,5-oxazocan-3-imine.

Molecular Properties

Compound Name7-methyl-1,5-oxazocan-3-imine
PubChem CID166948573
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name7-methyl-1,5-oxazocan-3-imine
SMILES[H]/N=C1/CNCC(C)COC1
InChIInChI=1S/C7H14N2O/c1-6-2-9-3-7(8)5-10-4-6/h6,8-9H,2-5H2,1H3/b8-7-
InChIKeyWDQZCYYGKYOADY-FPLPWBNLSA-N
XLogP0.26
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,5-oxazocan-3-imine?
The IUPAC name of 7-methyl-1,5-oxazocan-3-imine (CID 166948573) is 7-methyl-1,5-oxazocan-3-imine.
What is the SMILES notation for 7-methyl-1,5-oxazocan-3-imine?
The canonical SMILES for 7-methyl-1,5-oxazocan-3-imine is [H]/N=C1/CNCC(C)COC1.
What is the InChIKey of 7-methyl-1,5-oxazocan-3-imine?
The InChIKey is WDQZCYYGKYOADY-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6-2-9-3-7(8)5-10-4-6/h6,8-9H,2-5H2,1H3/b8-7-.
What are the key properties of 7-methyl-1,5-oxazocan-3-imine?
7-methyl-1,5-oxazocan-3-imine has a molecular weight of 142.20 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,5-oxazocan-3-imine is sourced from PubChem (CID 166948573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).