1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol

C15H28N2O2 — CID 139353178

IUPAC1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol
SMILESC/C=C(\C=C/C(=C\C)NC)CNCC(O)COCC
InChIInChI=1S/C15H28N2O2/c1-5-13(8-9-14(6-2)16-4)10-17-11-15(18)12-19-7-3/h5-6,8-9,15-18H,7,10-12H2,1-4H3/b9-8-,13-5+,14-6+
InChIKeyBTNCPZVKMLZUJH-ISQJCILNSA-N
MW268.40 g/mol
LogP1.60
Rot. Bonds10

About 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol

1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol (PubChem CID 139353178) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol
PubChem CID139353178
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol
SMILESC/C=C(\C=C/C(=C\C)NC)CNCC(O)COCC
InChIInChI=1S/C15H28N2O2/c1-5-13(8-9-14(6-2)16-4)10-17-11-15(18)12-19-7-3/h5-6,8-9,15-18H,7,10-12H2,1-4H3/b9-8-,13-5+,14-6+
InChIKeyBTNCPZVKMLZUJH-ISQJCILNSA-N
XLogP1.60
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-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 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol (CID 139353178) is 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol is C/C=C(\C=C/C(=C\C)NC)CNCC(O)COCC.
What is the InChIKey of 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol?
The InChIKey is BTNCPZVKMLZUJH-ISQJCILNSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-13(8-9-14(6-2)16-4)10-17-11-15(18)12-19-7-3/h5-6,8-9,15-18H,7,10-12H2,1-4H3/b9-8-,13-5+,14-6+.
What are the key properties of 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol?
1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol is sourced from PubChem (CID 139353178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).