1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine

C11H21NO — CID 130433855

IUPAC1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine
SMILESCCOC/C(C=C(C)C)=N\C(C)C
InChIInChI=1S/C11H21NO/c1-6-13-8-11(7-9(2)3)12-10(4)5/h7,10H,6,8H2,1-5H3/b12-11-
InChIKeyKINGAWXWSLXIED-QXMHVHEDSA-N
MW183.29 g/mol
LogP2.84
Rot. Bonds5

About 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine

1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine (PubChem CID 130433855) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Name1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine
PubChem CID130433855
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine
SMILESCCOC/C(C=C(C)C)=N\C(C)C
InChIInChI=1S/C11H21NO/c1-6-13-8-11(7-9(2)3)12-10(4)5/h7,10H,6,8H2,1-5H3/b12-11-
InChIKeyKINGAWXWSLXIED-QXMHVHEDSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine 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 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine?
The IUPAC name of 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine (CID 130433855) is 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine.
What is the SMILES notation for 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine?
The canonical SMILES for 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine is CCOC/C(C=C(C)C)=N\C(C)C.
What is the InChIKey of 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine?
The InChIKey is KINGAWXWSLXIED-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-13-8-11(7-9(2)3)12-10(4)5/h7,10H,6,8H2,1-5H3/b12-11-.
What are the key properties of 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine?
1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine has a molecular weight of 183.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methyl-N-propan-2-ylpent-3-en-2-imine is sourced from PubChem (CID 130433855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).