5-ethyl-4,7-dimethylocta-5,7-dien-3-amine

C12H23N — CID 174276376

IUPAC5-ethyl-4,7-dimethylocta-5,7-dien-3-amine
SMILESC=C(C)C=C(CC)C(C)C(N)CC
InChIInChI=1S/C12H23N/c1-6-11(8-9(3)4)10(5)12(13)7-2/h8,10,12H,3,6-7,13H2,1-2,4-5H3
InChIKeyAXWFGZIUXYHRPX-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds5

About 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine

5-ethyl-4,7-dimethylocta-5,7-dien-3-amine (PubChem CID 174276376) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine.

Molecular Properties

Compound Name5-ethyl-4,7-dimethylocta-5,7-dien-3-amine
PubChem CID174276376
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-ethyl-4,7-dimethylocta-5,7-dien-3-amine
SMILESC=C(C)C=C(CC)C(C)C(N)CC
InChIInChI=1S/C12H23N/c1-6-11(8-9(3)4)10(5)12(13)7-2/h8,10,12H,3,6-7,13H2,1-2,4-5H3
InChIKeyAXWFGZIUXYHRPX-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-4,7-dimethylocta-5,7-dien-3-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 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine?
The IUPAC name of 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine (CID 174276376) is 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine.
What is the SMILES notation for 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine?
The canonical SMILES for 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine is C=C(C)C=C(CC)C(C)C(N)CC.
What is the InChIKey of 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine?
The InChIKey is AXWFGZIUXYHRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11(8-9(3)4)10(5)12(13)7-2/h8,10,12H,3,6-7,13H2,1-2,4-5H3.
What are the key properties of 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine?
5-ethyl-4,7-dimethylocta-5,7-dien-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,7-dimethylocta-5,7-dien-3-amine is sourced from PubChem (CID 174276376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).