1-methoxy-2-methylpentan-3-imine

C7H15NO — CID 123231606

IUPAC1-methoxy-2-methylpentan-3-imine
SMILES[H]/N=C(\CC)C(C)COC
InChIInChI=1S/C7H15NO/c1-4-7(8)6(2)5-9-3/h6,8H,4-5H2,1-3H3/b8-7+
InChIKeyBACQMZUPBRURFS-BQYQJAHWSA-N
MW129.20 g/mol
LogP1.70
Rot. Bonds4

About 1-methoxy-2-methylpentan-3-imine

1-methoxy-2-methylpentan-3-imine (PubChem CID 123231606) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-methoxy-2-methylpentan-3-imine.

Molecular Properties

Compound Name1-methoxy-2-methylpentan-3-imine
PubChem CID123231606
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-methoxy-2-methylpentan-3-imine
SMILES[H]/N=C(\CC)C(C)COC
InChIInChI=1S/C7H15NO/c1-4-7(8)6(2)5-9-3/h6,8H,4-5H2,1-3H3/b8-7+
InChIKeyBACQMZUPBRURFS-BQYQJAHWSA-N
XLogP1.70
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.70
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

Ethyl4-methylpentanimidate
CID 12235057
Methyl 4-methylpentanimidate;hydrochloride
CID 13627493
Methyl4-methylpentanimidate
CID 13627494
Methyl3-methylpentanimidate
CID 18621262
1-Methoxypentan-3-imine;tris(yttrium)
CID 58069452
1-(Oxolan-3-yl)ethanimine
CID 123431537
2-Methylpentyl propanimidate
CID 124020244
1-(Oxan-4-yl)ethanimine
CID 126707160
(3R)-6-methoxy-3-methylhexan-2-imine
CID 130282879
Ethyl 2-methylpentanimidate
CID 130995122
Ethane;methyl 2-methylpentanimidate
CID 141804983
3-Methyloxan-2-imine
CID 145278326

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylpentan-3-imine?
The IUPAC name of 1-methoxy-2-methylpentan-3-imine (CID 123231606) is 1-methoxy-2-methylpentan-3-imine.
What is the SMILES notation for 1-methoxy-2-methylpentan-3-imine?
The canonical SMILES for 1-methoxy-2-methylpentan-3-imine is [H]/N=C(\CC)C(C)COC.
What is the InChIKey of 1-methoxy-2-methylpentan-3-imine?
The InChIKey is BACQMZUPBRURFS-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(8)6(2)5-9-3/h6,8H,4-5H2,1-3H3/b8-7+.
What are the key properties of 1-methoxy-2-methylpentan-3-imine?
1-methoxy-2-methylpentan-3-imine has a molecular weight of 129.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylpentan-3-imine is sourced from PubChem (CID 123231606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).