(2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide

C15H27N3O — CID 142958887

IUPAC(2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide
SMILESC=CC/C(N)=C\C=C(/C)C(=O)NCCN(CC)CC
InChIInChI=1S/C15H27N3O/c1-5-8-14(16)10-9-13(4)15(19)17-11-12-18(6-2)7-3/h5,9-10H,1,6-8,11-12,16H2,2-4H3,(H,17,19)/b13-9+,14-10+
InChIKeyIYEVWDMHARNECA-UTLPMFLDSA-N
MW265.40 g/mol
LogP1.81
Rot. Bonds9

About (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide

(2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide (PubChem CID 142958887) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide.

Molecular Properties

Compound Name(2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide
PubChem CID142958887
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide
SMILESC=CC/C(N)=C\C=C(/C)C(=O)NCCN(CC)CC
InChIInChI=1S/C15H27N3O/c1-5-8-14(16)10-9-13(4)15(19)17-11-12-18(6-2)7-3/h5,9-10H,1,6-8,11-12,16H2,2-4H3,(H,17,19)/b13-9+,14-10+
InChIKeyIYEVWDMHARNECA-UTLPMFLDSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide 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,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide?
The IUPAC name of (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide (CID 142958887) is (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide.
What is the SMILES notation for (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide?
The canonical SMILES for (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide is C=CC/C(N)=C\C=C(/C)C(=O)NCCN(CC)CC.
What is the InChIKey of (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide?
The InChIKey is IYEVWDMHARNECA-UTLPMFLDSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-14(16)10-9-13(4)15(19)17-11-12-18(6-2)7-3/h5,9-10H,1,6-8,11-12,16H2,2-4H3,(H,17,19)/b13-9+,14-10+.
What are the key properties of (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide?
(2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide has a molecular weight of 265.40 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-N-[2-(diethylamino)ethyl]-2-methylocta-2,4,7-trienamide is sourced from PubChem (CID 142958887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).