(2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide

C17H30N2O — CID 21297956

IUPAC(2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C17H30N2O/c1-14(2)7-5-8-15(3)9-6-10-16(4)13-17(20)19-12-11-18/h7,9,13H,5-6,8,10-12,18H2,1-4H3,(H,19,20)/b15-9+,16-13+
InChIKeyQKZWYIIZWKIJHC-RNPYNJAESA-N
MW278.44 g/mol
LogP3.48
Rot. Bonds9

About (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide

(2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide (PubChem CID 21297956) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
PubChem CID21297956
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C17H30N2O/c1-14(2)7-5-8-15(3)9-6-10-16(4)13-17(20)19-12-11-18/h7,9,13H,5-6,8,10-12,18H2,1-4H3,(H,19,20)/b15-9+,16-13+
InChIKeyQKZWYIIZWKIJHC-RNPYNJAESA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-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,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The IUPAC name of (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide (CID 21297956) is (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)NCCN.
What is the InChIKey of (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The InChIKey is QKZWYIIZWKIJHC-RNPYNJAESA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)7-5-8-15(3)9-6-10-16(4)13-17(20)19-12-11-18/h7,9,13H,5-6,8,10-12,18H2,1-4H3,(H,19,20)/b15-9+,16-13+.
What are the key properties of (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
(2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide has a molecular weight of 278.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 21297956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).