3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine

C21H43NO — CID 130316412

IUPAC3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine
SMILESC/C=C/C(C)(C)C(C)(C)CC(C)(C)CCOC(C)(C)CCNC
InChIInChI=1S/C21H43NO/c1-11-12-19(4,5)20(6,7)17-18(2,3)14-16-23-21(8,9)13-15-22-10/h11-12,22H,13-17H2,1-10H3/b12-11+
InChIKeyJJUHEGROYZHLHO-VAWYXSNFSA-N
MW325.58 g/mol
LogP5.83
Rot. Bonds11

About 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine

3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine (PubChem CID 130316412) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine
PubChem CID130316412
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine
SMILESC/C=C/C(C)(C)C(C)(C)CC(C)(C)CCOC(C)(C)CCNC
InChIInChI=1S/C21H43NO/c1-11-12-19(4,5)20(6,7)17-18(2,3)14-16-23-21(8,9)13-15-22-10/h11-12,22H,13-17H2,1-10H3/b12-11+
InChIKeyJJUHEGROYZHLHO-VAWYXSNFSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine 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 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine (CID 130316412) is 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine is C/C=C/C(C)(C)C(C)(C)CC(C)(C)CCOC(C)(C)CCNC.
What is the InChIKey of 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine?
The InChIKey is JJUHEGROYZHLHO-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H43NO/c1-11-12-19(4,5)20(6,7)17-18(2,3)14-16-23-21(8,9)13-15-22-10/h11-12,22H,13-17H2,1-10H3/b12-11+.
What are the key properties of 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine?
3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine has a molecular weight of 325.58 g/mol, XLogP of 5.83, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 130316412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).