(3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide

C10H16N2O — CID 142271658

IUPAC(3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide
SMILESC=C/C(N)=C\C=C(/C)CC(=O)NC
InChIInChI=1S/C10H16N2O/c1-4-9(11)6-5-8(2)7-10(13)12-3/h4-6H,1,7,11H2,2-3H3,(H,12,13)/b8-5+,9-6+
InChIKeyZATCISQOGVEFBL-XVYDYJIPSA-N
MW180.25 g/mol
LogP1.10
Rot. Bonds4

About (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide

(3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide (PubChem CID 142271658) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide.

Molecular Properties

Compound Name(3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide
PubChem CID142271658
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide
SMILESC=C/C(N)=C\C=C(/C)CC(=O)NC
InChIInChI=1S/C10H16N2O/c1-4-9(11)6-5-8(2)7-10(13)12-3/h4-6H,1,7,11H2,2-3H3,(H,12,13)/b8-5+,9-6+
InChIKeyZATCISQOGVEFBL-XVYDYJIPSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide?
The IUPAC name of (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide (CID 142271658) is (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide.
What is the SMILES notation for (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide?
The canonical SMILES for (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide is C=C/C(N)=C\C=C(/C)CC(=O)NC.
What is the InChIKey of (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide?
The InChIKey is ZATCISQOGVEFBL-XVYDYJIPSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(11)6-5-8(2)7-10(13)12-3/h4-6H,1,7,11H2,2-3H3,(H,12,13)/b8-5+,9-6+.
What are the key properties of (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide?
(3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide has a molecular weight of 180.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide is sourced from PubChem (CID 142271658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).