N-methoxy-4,7-dimethyloct-6-en-3-imine

C11H21NO — CID 54099560

IUPACN-methoxy-4,7-dimethyloct-6-en-3-imine
SMILESCCC(=NOC)C(C)CC=C(C)C
InChIInChI=1S/C11H21NO/c1-6-11(12-13-5)10(4)8-7-9(2)3/h7,10H,6,8H2,1-5H3
InChIKeyMZPHHSIAUHKATE-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.39
Rot. Bonds5

About N-methoxy-4,7-dimethyloct-6-en-3-imine

N-methoxy-4,7-dimethyloct-6-en-3-imine (PubChem CID 54099560) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methoxy-4,7-dimethyloct-6-en-3-imine.

Molecular Properties

Compound NameN-methoxy-4,7-dimethyloct-6-en-3-imine
PubChem CID54099560
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methoxy-4,7-dimethyloct-6-en-3-imine
SMILESCCC(=NOC)C(C)CC=C(C)C
InChIInChI=1S/C11H21NO/c1-6-11(12-13-5)10(4)8-7-9(2)3/h7,10H,6,8H2,1-5H3
InChIKeyMZPHHSIAUHKATE-UHFFFAOYSA-N
XLogP3.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.39
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-methoxy-4,7-dimethyloct-6-en-3-imine?
The IUPAC name of N-methoxy-4,7-dimethyloct-6-en-3-imine (CID 54099560) is N-methoxy-4,7-dimethyloct-6-en-3-imine.
What is the SMILES notation for N-methoxy-4,7-dimethyloct-6-en-3-imine?
The canonical SMILES for N-methoxy-4,7-dimethyloct-6-en-3-imine is CCC(=NOC)C(C)CC=C(C)C.
What is the InChIKey of N-methoxy-4,7-dimethyloct-6-en-3-imine?
The InChIKey is MZPHHSIAUHKATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-11(12-13-5)10(4)8-7-9(2)3/h7,10H,6,8H2,1-5H3.
What are the key properties of N-methoxy-4,7-dimethyloct-6-en-3-imine?
N-methoxy-4,7-dimethyloct-6-en-3-imine has a molecular weight of 183.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4,7-dimethyloct-6-en-3-imine is sourced from PubChem (CID 54099560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).