N-methoxyhept-3-en-2-imine

C8H15NO — CID 534366

IUPACN-methoxyhept-3-en-2-imine
SMILESCCCC=CC(C)=NOC
InChIInChI=1S/C8H15NO/c1-4-5-6-7-8(2)9-10-3/h6-7H,4-5H2,1-3H3
InChIKeyAYYSOEAKFWYRCQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.37
Rot. Bonds4

About N-methoxyhept-3-en-2-imine

N-methoxyhept-3-en-2-imine (PubChem CID 534366) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methoxyhept-3-en-2-imine.

Molecular Properties

Compound NameN-methoxyhept-3-en-2-imine
PubChem CID534366
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methoxyhept-3-en-2-imine
SMILESCCCC=CC(C)=NOC
InChIInChI=1S/C8H15NO/c1-4-5-6-7-8(2)9-10-3/h6-7H,4-5H2,1-3H3
InChIKeyAYYSOEAKFWYRCQ-UHFFFAOYSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.37
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-methoxyhept-3-en-2-imine?
The IUPAC name of N-methoxyhept-3-en-2-imine (CID 534366) is N-methoxyhept-3-en-2-imine.
What is the SMILES notation for N-methoxyhept-3-en-2-imine?
The canonical SMILES for N-methoxyhept-3-en-2-imine is CCCC=CC(C)=NOC.
What is the InChIKey of N-methoxyhept-3-en-2-imine?
The InChIKey is AYYSOEAKFWYRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7-8(2)9-10-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methoxyhept-3-en-2-imine?
N-methoxyhept-3-en-2-imine has a molecular weight of 141.21 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyhept-3-en-2-imine is sourced from PubChem (CID 534366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).