2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine

C16H28N2O — CID 143750238

IUPAC2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCO/C1=C/C=C\C/C=C(/C)N(C)C1
InChIInChI=1S/C16H28N2O/c1-5-18(6-2)12-13-19-16-11-9-7-8-10-15(3)17(4)14-16/h7,9-11H,5-6,8,12-14H2,1-4H3/b9-7-,15-10-,16-11+
InChIKeyFAZDUSWFDXRCSQ-SZQAVDQUSA-N
MW264.41 g/mol
LogP3.02
Rot. Bonds6

About 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine

2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine (PubChem CID 143750238) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine
PubChem CID143750238
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCO/C1=C/C=C\C/C=C(/C)N(C)C1
InChIInChI=1S/C16H28N2O/c1-5-18(6-2)12-13-19-16-11-9-7-8-10-15(3)17(4)14-16/h7,9-11H,5-6,8,12-14H2,1-4H3/b9-7-,15-10-,16-11+
InChIKeyFAZDUSWFDXRCSQ-SZQAVDQUSA-N
XLogP3.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine (CID 143750238) is 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine is CCN(CC)CCO/C1=C/C=C\C/C=C(/C)N(C)C1.
What is the InChIKey of 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine?
The InChIKey is FAZDUSWFDXRCSQ-SZQAVDQUSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(6-2)12-13-19-16-11-9-7-8-10-15(3)17(4)14-16/h7,9-11H,5-6,8,12-14H2,1-4H3/b9-7-,15-10-,16-11+.
What are the key properties of 2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine?
2-[[(3E,5Z,8Z)-1,9-dimethyl-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine has a molecular weight of 264.41 g/mol, XLogP of 3.02, 6 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-2,7-dihydroazonin-3-yl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 143750238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).