N-ethoxyhept-5-en-2-imine

C9H17NO — CID 59959747

IUPACN-ethoxyhept-5-en-2-imine
SMILESCC=CCCC(C)=NOCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8-9(3)10-11-5-2/h4,6H,5,7-8H2,1-3H3
InChIKeyLTTGNVPKRKKPSX-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.76
Rot. Bonds5

About N-ethoxyhept-5-en-2-imine

N-ethoxyhept-5-en-2-imine (PubChem CID 59959747) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethoxyhept-5-en-2-imine.

Molecular Properties

Compound NameN-ethoxyhept-5-en-2-imine
PubChem CID59959747
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-ethoxyhept-5-en-2-imine
SMILESCC=CCCC(C)=NOCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8-9(3)10-11-5-2/h4,6H,5,7-8H2,1-3H3
InChIKeyLTTGNVPKRKKPSX-UHFFFAOYSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-ethoxyhept-5-en-2-imine?
The IUPAC name of N-ethoxyhept-5-en-2-imine (CID 59959747) is N-ethoxyhept-5-en-2-imine.
What is the SMILES notation for N-ethoxyhept-5-en-2-imine?
The canonical SMILES for N-ethoxyhept-5-en-2-imine is CC=CCCC(C)=NOCC.
What is the InChIKey of N-ethoxyhept-5-en-2-imine?
The InChIKey is LTTGNVPKRKKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-8-9(3)10-11-5-2/h4,6H,5,7-8H2,1-3H3.
What are the key properties of N-ethoxyhept-5-en-2-imine?
N-ethoxyhept-5-en-2-imine has a molecular weight of 155.24 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyhept-5-en-2-imine is sourced from PubChem (CID 59959747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).