1-methoxy-4-propyloctan-3-imine

C12H25NO — CID 138702385

IUPAC1-methoxy-4-propyloctan-3-imine
SMILES[H]/N=C(\CCOC)C(CCC)CCCC
InChIInChI=1S/C12H25NO/c1-4-6-8-11(7-5-2)12(13)9-10-14-3/h11,13H,4-10H2,1-3H3/b13-12+
InChIKeyCBBQYLAVSPMLCD-OUKQBFOZSA-N
MW199.34 g/mol
LogP3.65
Rot. Bonds9

About 1-methoxy-4-propyloctan-3-imine

1-methoxy-4-propyloctan-3-imine (PubChem CID 138702385) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-methoxy-4-propyloctan-3-imine.

Molecular Properties

Compound Name1-methoxy-4-propyloctan-3-imine
PubChem CID138702385
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-methoxy-4-propyloctan-3-imine
SMILES[H]/N=C(\CCOC)C(CCC)CCCC
InChIInChI=1S/C12H25NO/c1-4-6-8-11(7-5-2)12(13)9-10-14-3/h11,13H,4-10H2,1-3H3/b13-12+
InChIKeyCBBQYLAVSPMLCD-OUKQBFOZSA-N
XLogP3.65
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-methoxy-4-propyloctan-3-imine?
The IUPAC name of 1-methoxy-4-propyloctan-3-imine (CID 138702385) is 1-methoxy-4-propyloctan-3-imine.
What is the SMILES notation for 1-methoxy-4-propyloctan-3-imine?
The canonical SMILES for 1-methoxy-4-propyloctan-3-imine is [H]/N=C(\CCOC)C(CCC)CCCC.
What is the InChIKey of 1-methoxy-4-propyloctan-3-imine?
The InChIKey is CBBQYLAVSPMLCD-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-8-11(7-5-2)12(13)9-10-14-3/h11,13H,4-10H2,1-3H3/b13-12+.
What are the key properties of 1-methoxy-4-propyloctan-3-imine?
1-methoxy-4-propyloctan-3-imine has a molecular weight of 199.34 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-propyloctan-3-imine is sourced from PubChem (CID 138702385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).