N-ethoxypentan-3-imine

C7H15NO — CID 20642399

IUPACN-ethoxypentan-3-imine
SMILESCCON=C(CC)CC
InChIInChI=1S/C7H15NO/c1-4-7(5-2)8-9-6-3/h4-6H2,1-3H3
InChIKeyRUYPGOZSIJJTJA-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.20
Rot. Bonds4

About N-ethoxypentan-3-imine

N-ethoxypentan-3-imine (PubChem CID 20642399) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethoxypentan-3-imine.

Molecular Properties

Compound NameN-ethoxypentan-3-imine
PubChem CID20642399
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethoxypentan-3-imine
SMILESCCON=C(CC)CC
InChIInChI=1S/C7H15NO/c1-4-7(5-2)8-9-6-3/h4-6H2,1-3H3
InChIKeyRUYPGOZSIJJTJA-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-ethoxypentan-3-imine?
The IUPAC name of N-ethoxypentan-3-imine (CID 20642399) is N-ethoxypentan-3-imine.
What is the SMILES notation for N-ethoxypentan-3-imine?
The canonical SMILES for N-ethoxypentan-3-imine is CCON=C(CC)CC.
What is the InChIKey of N-ethoxypentan-3-imine?
The InChIKey is RUYPGOZSIJJTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(5-2)8-9-6-3/h4-6H2,1-3H3.
What are the key properties of N-ethoxypentan-3-imine?
N-ethoxypentan-3-imine has a molecular weight of 129.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypentan-3-imine is sourced from PubChem (CID 20642399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).