N-methylperoxypentan-3-imine

C6H13NO2 — CID 150105473

IUPACN-methylperoxypentan-3-imine
SMILESCCC(CC)=NOOC
InChIInChI=1S/C6H13NO2/c1-4-6(5-2)7-9-8-3/h4-5H2,1-3H3
InChIKeyDWDLTTJTIGZLKY-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.74
Rot. Bonds4

About N-methylperoxypentan-3-imine

N-methylperoxypentan-3-imine (PubChem CID 150105473) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-methylperoxypentan-3-imine.

Molecular Properties

Compound NameN-methylperoxypentan-3-imine
PubChem CID150105473
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-methylperoxypentan-3-imine
SMILESCCC(CC)=NOOC
InChIInChI=1S/C6H13NO2/c1-4-6(5-2)7-9-8-3/h4-5H2,1-3H3
InChIKeyDWDLTTJTIGZLKY-UHFFFAOYSA-N
XLogP1.74
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enoxypentan-3-imine
CID 174974673
(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
CID 89392475
N-[(3E)-3-methoxyiminopentan-2-ylidene]hydroxylamine
CID 172986045
N-methoxy-2-methylpentan-3-imine
CID 72584290
(E)-N-ethyl-5-methoxyhept-4-en-3-imine
CID 176925896
N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine
CID 159028585
N-(methylideneamino)pentan-3-imine
CID 123972689
1-methoxyheptane-2,5-dione
CID 12648673
(E)-N-methoxy-2,2-dimethylpentan-3-imine
CID 122659260
(3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one
CID 172944980
4-methoxyiminohex-2-enamide
CID 141284520
methyl (E,4E)-4-hydroxyiminohex-2-enoate
CID 175930636

Frequently Asked Questions

What is the IUPAC name of N-methylperoxypentan-3-imine?
The IUPAC name of N-methylperoxypentan-3-imine (CID 150105473) is N-methylperoxypentan-3-imine.
What is the SMILES notation for N-methylperoxypentan-3-imine?
The canonical SMILES for N-methylperoxypentan-3-imine is CCC(CC)=NOOC.
What is the InChIKey of N-methylperoxypentan-3-imine?
The InChIKey is DWDLTTJTIGZLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-6(5-2)7-9-8-3/h4-5H2,1-3H3.
What are the key properties of N-methylperoxypentan-3-imine?
N-methylperoxypentan-3-imine has a molecular weight of 131.18 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylperoxypentan-3-imine is sourced from PubChem (CID 150105473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).