ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine

C10H23N3O — CID 145198238

IUPACethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine
SMILESCC.CNCCO/C(N)=C/C=C(/C)N
InChIInChI=1S/C8H17N3O.C2H6/c1-7(9)3-4-8(10)12-6-5-11-2;1-2/h3-4,11H,5-6,9-10H2,1-2H3;1-2H3/b7-3-,8-4+;
InChIKeyDSUKRKWDJSGWCC-ONANWKRQSA-N
MW201.31 g/mol
LogP0.91
Rot. Bonds5

About ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine

ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine (PubChem CID 145198238) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine
PubChem CID145198238
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Nameethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine
SMILESCC.CNCCO/C(N)=C/C=C(/C)N
InChIInChI=1S/C8H17N3O.C2H6/c1-7(9)3-4-8(10)12-6-5-11-2;1-2/h3-4,11H,5-6,9-10H2,1-2H3;1-2H3/b7-3-,8-4+;
InChIKeyDSUKRKWDJSGWCC-ONANWKRQSA-N
XLogP0.91
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
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 ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-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 ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine?
The IUPAC name of ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine (CID 145198238) is ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine.
What is the SMILES notation for ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine?
The canonical SMILES for ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine is CC.CNCCO/C(N)=C/C=C(/C)N.
What is the InChIKey of ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine?
The InChIKey is DSUKRKWDJSGWCC-ONANWKRQSA-N. The full InChI is InChI=1S/C8H17N3O.C2H6/c1-7(9)3-4-8(10)12-6-5-11-2;1-2/h3-4,11H,5-6,9-10H2,1-2H3;1-2H3/b7-3-,8-4+;.
What are the key properties of ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine?
ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine has a molecular weight of 201.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,3Z)-1-[2-(methylamino)ethoxy]penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145198238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).