(Z)-N-methoxyheptan-3-imine

C8H17NO — CID 135085757

IUPAC(Z)-N-methoxyheptan-3-imine
SMILESCCCC/C(CC)=N\OC
InChIInChI=1S/C8H17NO/c1-4-6-7-8(5-2)9-10-3/h4-7H2,1-3H3/b9-8-
InChIKeyGGODHAVQXREKBP-HJWRWDBZSA-N
MW143.23 g/mol
LogP2.59
Rot. Bonds5

About (Z)-N-methoxyheptan-3-imine

(Z)-N-methoxyheptan-3-imine (PubChem CID 135085757) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-N-methoxyheptan-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxyheptan-3-imine
PubChem CID135085757
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-N-methoxyheptan-3-imine
SMILESCCCC/C(CC)=N\OC
InChIInChI=1S/C8H17NO/c1-4-6-7-8(5-2)9-10-3/h4-7H2,1-3H3/b9-8-
InChIKeyGGODHAVQXREKBP-HJWRWDBZSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.59
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 (Z)-N-methoxyheptan-3-imine?
The IUPAC name of (Z)-N-methoxyheptan-3-imine (CID 135085757) is (Z)-N-methoxyheptan-3-imine.
What is the SMILES notation for (Z)-N-methoxyheptan-3-imine?
The canonical SMILES for (Z)-N-methoxyheptan-3-imine is CCCC/C(CC)=N\OC.
What is the InChIKey of (Z)-N-methoxyheptan-3-imine?
The InChIKey is GGODHAVQXREKBP-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-7-8(5-2)9-10-3/h4-7H2,1-3H3/b9-8-.
What are the key properties of (Z)-N-methoxyheptan-3-imine?
(Z)-N-methoxyheptan-3-imine has a molecular weight of 143.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxyheptan-3-imine is sourced from PubChem (CID 135085757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).