2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide

C15H22N2O2 — CID 143750100

IUPAC2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide
SMILESC=C1/C=C\C=C(\OCC(=O)N(C)C)CN(C)/C(C)=C\1
InChIInChI=1S/C15H22N2O2/c1-12-7-6-8-14(10-17(5)13(2)9-12)19-11-15(18)16(3)4/h6-9H,1,10-11H2,2-5H3/b7-6-,13-9-,14-8+
InChIKeyLIYAIBKIDYBFNC-XNJHFMHMSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds3

About 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide

2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide (PubChem CID 143750100) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide
PubChem CID143750100
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide
SMILESC=C1/C=C\C=C(\OCC(=O)N(C)C)CN(C)/C(C)=C\1
InChIInChI=1S/C15H22N2O2/c1-12-7-6-8-14(10-17(5)13(2)9-12)19-11-15(18)16(3)4/h6-9H,1,10-11H2,2-5H3/b7-6-,13-9-,14-8+
InChIKeyLIYAIBKIDYBFNC-XNJHFMHMSA-N
XLogP1.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide 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 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide (CID 143750100) is 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide is C=C1/C=C\C=C(\OCC(=O)N(C)C)CN(C)/C(C)=C\1.
What is the InChIKey of 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is LIYAIBKIDYBFNC-XNJHFMHMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-7-6-8-14(10-17(5)13(2)9-12)19-11-15(18)16(3)4/h6-9H,1,10-11H2,2-5H3/b7-6-,13-9-,14-8+.
What are the key properties of 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide?
2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,5Z,8Z)-1,9-dimethyl-7-methylidene-2H-azonin-3-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 143750100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).