N-(4-methylpent-3-enoxymethyl)ethanimine

C9H17NO — CID 123418165

IUPACN-(4-methylpent-3-enoxymethyl)ethanimine
SMILESCC=NCOCCC=C(C)C
InChIInChI=1S/C9H17NO/c1-4-10-8-11-7-5-6-9(2)3/h4,6H,5,7-8H2,1-3H3
InChIKeyUKSAETAPDJFWAT-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.41
Rot. Bonds5

About N-(4-methylpent-3-enoxymethyl)ethanimine

N-(4-methylpent-3-enoxymethyl)ethanimine (PubChem CID 123418165) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(4-methylpent-3-enoxymethyl)ethanimine.

Molecular Properties

Compound NameN-(4-methylpent-3-enoxymethyl)ethanimine
PubChem CID123418165
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(4-methylpent-3-enoxymethyl)ethanimine
SMILESCC=NCOCCC=C(C)C
InChIInChI=1S/C9H17NO/c1-4-10-8-11-7-5-6-9(2)3/h4,6H,5,7-8H2,1-3H3
InChIKeyUKSAETAPDJFWAT-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-methylpent-3-enoxymethyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-3-enoxymethyl)ethanimine?
The IUPAC name of N-(4-methylpent-3-enoxymethyl)ethanimine (CID 123418165) is N-(4-methylpent-3-enoxymethyl)ethanimine.
What is the SMILES notation for N-(4-methylpent-3-enoxymethyl)ethanimine?
The canonical SMILES for N-(4-methylpent-3-enoxymethyl)ethanimine is CC=NCOCCC=C(C)C.
What is the InChIKey of N-(4-methylpent-3-enoxymethyl)ethanimine?
The InChIKey is UKSAETAPDJFWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-10-8-11-7-5-6-9(2)3/h4,6H,5,7-8H2,1-3H3.
What are the key properties of N-(4-methylpent-3-enoxymethyl)ethanimine?
N-(4-methylpent-3-enoxymethyl)ethanimine has a molecular weight of 155.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-3-enoxymethyl)ethanimine is sourced from PubChem (CID 123418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).