3,3-diethyl-N-oxidopentan-2-imine

C9H18NO- — CID 151761596

IUPAC3,3-diethyl-N-oxidopentan-2-imine
SMILESCCC(CC)(CC)C(C)=N[O-]
InChIInChI=1S/C9H19NO/c1-5-9(6-2,7-3)8(4)10-11/h11H,5-7H2,1-4H3/p-1
InChIKeyRXRQIFBCMBZMHG-UHFFFAOYSA-M
MW156.25 g/mol
LogP3.16
Rot. Bonds4

About 3,3-diethyl-N-oxidopentan-2-imine

3,3-diethyl-N-oxidopentan-2-imine (PubChem CID 151761596) has the molecular formula C9H18NO- and a molecular weight of 156.25 g/mol. Its IUPAC name is 3,3-diethyl-N-oxidopentan-2-imine.

Molecular Properties

Compound Name3,3-diethyl-N-oxidopentan-2-imine
PubChem CID151761596
Molecular FormulaC9H18NO-
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name3,3-diethyl-N-oxidopentan-2-imine
SMILESCCC(CC)(CC)C(C)=N[O-]
InChIInChI=1S/C9H19NO/c1-5-9(6-2,7-3)8(4)10-11/h11H,5-7H2,1-4H3/p-1
InChIKeyRXRQIFBCMBZMHG-UHFFFAOYSA-M
XLogP3.16
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-N-oxidopentan-2-imine?
The IUPAC name of 3,3-diethyl-N-oxidopentan-2-imine (CID 151761596) is 3,3-diethyl-N-oxidopentan-2-imine.
What is the SMILES notation for 3,3-diethyl-N-oxidopentan-2-imine?
The canonical SMILES for 3,3-diethyl-N-oxidopentan-2-imine is CCC(CC)(CC)C(C)=N[O-].
What is the InChIKey of 3,3-diethyl-N-oxidopentan-2-imine?
The InChIKey is RXRQIFBCMBZMHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO/c1-5-9(6-2,7-3)8(4)10-11/h11H,5-7H2,1-4H3/p-1.
What are the key properties of 3,3-diethyl-N-oxidopentan-2-imine?
3,3-diethyl-N-oxidopentan-2-imine has a molecular weight of 156.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-N-oxidopentan-2-imine is sourced from PubChem (CID 151761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).