N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine

C9H17NO — CID 91212400

IUPACN-(4,4-dimethylpent-2-en-3-yloxy)ethanimine
SMILESCC=NOC(=CC)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-8(9(3,4)5)11-10-7-2/h6-7H,1-5H3
InChIKeyGGSUGAIGIARGBC-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.96
Rot. Bonds2

About N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine

N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine (PubChem CID 91212400) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-2-en-3-yloxy)ethanimine
PubChem CID91212400
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(4,4-dimethylpent-2-en-3-yloxy)ethanimine
SMILESCC=NOC(=CC)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-8(9(3,4)5)11-10-7-2/h6-7H,1-5H3
InChIKeyGGSUGAIGIARGBC-UHFFFAOYSA-N
XLogP2.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(4,4-dimethylpent-2-en-3-yloxy)ethanimine?
The IUPAC name of N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine (CID 91212400) is N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine.
What is the SMILES notation for N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine?
The canonical SMILES for N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine is CC=NOC(=CC)C(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine?
The InChIKey is GGSUGAIGIARGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-8(9(3,4)5)11-10-7-2/h6-7H,1-5H3.
What are the key properties of N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine?
N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine has a molecular weight of 155.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine is sourced from PubChem (CID 91212400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).