(2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol

C14H24N2O — CID 167117919

IUPAC(2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=N\CC)C(O)C1CC(C)(C)CN1
InChIInChI=1S/C14H24N2O/c1-5-7-11(9-15-6-2)13(17)12-8-14(3,4)10-16-12/h5,7,9,12-13,16-17H,1,6,8,10H2,2-4H3/b11-7+,15-9+
InChIKeyXHAXJTIDMKBZGL-BIUQSXLLSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds5

About (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol

(2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol (PubChem CID 167117919) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol
PubChem CID167117919
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=N\CC)C(O)C1CC(C)(C)CN1
InChIInChI=1S/C14H24N2O/c1-5-7-11(9-15-6-2)13(17)12-8-14(3,4)10-16-12/h5,7,9,12-13,16-17H,1,6,8,10H2,2-4H3/b11-7+,15-9+
InChIKeyXHAXJTIDMKBZGL-BIUQSXLLSA-N
XLogP1.94
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol 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 (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol (CID 167117919) is (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol is C=C/C=C(\C=N\CC)C(O)C1CC(C)(C)CN1.
What is the InChIKey of (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol?
The InChIKey is XHAXJTIDMKBZGL-BIUQSXLLSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-7-11(9-15-6-2)13(17)12-8-14(3,4)10-16-12/h5,7,9,12-13,16-17H,1,6,8,10H2,2-4H3/b11-7+,15-9+.
What are the key properties of (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol?
(2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol has a molecular weight of 236.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4,4-dimethylpyrrolidin-2-yl)-2-(ethyliminomethyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 167117919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).