1-methoxypentane-2,4-diimine

C6H12N2O — CID 138709464

IUPAC1-methoxypentane-2,4-diimine
SMILES[H]/N=C(\COC)C/C(C)=N/[H]
InChIInChI=1S/C6H12N2O/c1-5(7)3-6(8)4-9-2/h7-8H,3-4H2,1-2H3/b7-5+,8-6-
InChIKeyJPFPMAUAALLHOG-YMBWGVAGSA-N
MW128.17 g/mol
LogP1.08
Rot. Bonds4

About 1-methoxypentane-2,4-diimine

1-methoxypentane-2,4-diimine (PubChem CID 138709464) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-methoxypentane-2,4-diimine.

Molecular Properties

Compound Name1-methoxypentane-2,4-diimine
PubChem CID138709464
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-methoxypentane-2,4-diimine
SMILES[H]/N=C(\COC)C/C(C)=N/[H]
InChIInChI=1S/C6H12N2O/c1-5(7)3-6(8)4-9-2/h7-8H,3-4H2,1-2H3/b7-5+,8-6-
InChIKeyJPFPMAUAALLHOG-YMBWGVAGSA-N
XLogP1.08
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxan-3-imine
CID 91515813
1-Methoxybutan-2-imine
CID 15077398
4-Methoxybutan-2-imine
CID 20765728
Methyl 3-iminobutanimidate
CID 57013146
1-Methoxypentan-3-imine;tris(yttrium)
CID 58069452
5-Methyloxolane-2,3-diimine
CID 70420442
4-Imino-5-methoxypentanenitrile
CID 91555031
Oxane-3,5-diimine
CID 123226396
2-Methoxypentan-3-imine
CID 123395422
1-Ethoxybutan-2-imine
CID 123509127
2-Ethoxypentan-3-imine
CID 123646802
Ethyl 3-iminobutanimidate
CID 123700994

Frequently Asked Questions

What is the IUPAC name of 1-methoxypentane-2,4-diimine?
The IUPAC name of 1-methoxypentane-2,4-diimine (CID 138709464) is 1-methoxypentane-2,4-diimine.
What is the SMILES notation for 1-methoxypentane-2,4-diimine?
The canonical SMILES for 1-methoxypentane-2,4-diimine is [H]/N=C(\COC)C/C(C)=N/[H].
What is the InChIKey of 1-methoxypentane-2,4-diimine?
The InChIKey is JPFPMAUAALLHOG-YMBWGVAGSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(7)3-6(8)4-9-2/h7-8H,3-4H2,1-2H3/b7-5+,8-6-.
What are the key properties of 1-methoxypentane-2,4-diimine?
1-methoxypentane-2,4-diimine has a molecular weight of 128.17 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentane-2,4-diimine is sourced from PubChem (CID 138709464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).