N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine

C16H30N2O2 — CID 89209333

IUPACN'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine
SMILESC=C(OC)/C(=C\C(=C/C)CCNCCCCCN)OC
InChIInChI=1S/C16H30N2O2/c1-5-15(13-16(20-4)14(2)19-3)9-12-18-11-8-6-7-10-17/h5,13,18H,2,6-12,17H2,1,3-4H3/b15-5-,16-13+
InChIKeyUGDNKCJWTUAXCM-BXXQQOARSA-N
MW282.43 g/mol
LogP2.73
Rot. Bonds12

About N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine

N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine (PubChem CID 89209333) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine
PubChem CID89209333
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine
SMILESC=C(OC)/C(=C\C(=C/C)CCNCCCCCN)OC
InChIInChI=1S/C16H30N2O2/c1-5-15(13-16(20-4)14(2)19-3)9-12-18-11-8-6-7-10-17/h5,13,18H,2,6-12,17H2,1,3-4H3/b15-5-,16-13+
InChIKeyUGDNKCJWTUAXCM-BXXQQOARSA-N
XLogP2.73
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine 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'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine?
The IUPAC name of N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine (CID 89209333) is N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine.
What is the SMILES notation for N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine?
The canonical SMILES for N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine is C=C(OC)/C(=C\C(=C/C)CCNCCCCCN)OC.
What is the InChIKey of N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine?
The InChIKey is UGDNKCJWTUAXCM-BXXQQOARSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-15(13-16(20-4)14(2)19-3)9-12-18-11-8-6-7-10-17/h5,13,18H,2,6-12,17H2,1,3-4H3/b15-5-,16-13+.
What are the key properties of N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine?
N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine has a molecular weight of 282.43 g/mol, XLogP of 2.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine is sourced from PubChem (CID 89209333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).