4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane

C15H26N2O — CID 173308195

IUPAC4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane
SMILESC=CC(C(C=C)N1CCCC[14CH2]1)N1CCO[14CH2]C1
InChIInChI=1S/C15H26N2O/c1-3-14(16-8-6-5-7-9-16)15(4-2)17-10-12-18-13-11-17/h3-4,14-15H,1-2,5-13H2/i8+2,12+2
InChIKeyLXFQUMUXSUVLGO-SYVOJYFPSA-N
MW254.37 g/mol
LogP1.91
Rot. Bonds5

About 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane

4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane (PubChem CID 173308195) has the molecular formula C15H26N2O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane.

Molecular Properties

Compound Name4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane
PubChem CID173308195
Molecular FormulaC15H26N2O
Molecular Weight254.37 g/mol
Exact Mass254.21
IUPAC Name4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane
SMILESC=CC(C(C=C)N1CCCC[14CH2]1)N1CCO[14CH2]C1
InChIInChI=1S/C15H26N2O/c1-3-14(16-8-6-5-7-9-16)15(4-2)17-10-12-18-13-11-17/h3-4,14-15H,1-2,5-13H2/i8+2,12+2
InChIKeyLXFQUMUXSUVLGO-SYVOJYFPSA-N
XLogP1.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane?
The IUPAC name of 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane (CID 173308195) is 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane.
What is the SMILES notation for 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane?
The canonical SMILES for 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane is C=CC(C(C=C)N1CCCC[14CH2]1)N1CCO[14CH2]C1.
What is the InChIKey of 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane?
The InChIKey is LXFQUMUXSUVLGO-SYVOJYFPSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-14(16-8-6-5-7-9-16)15(4-2)17-10-12-18-13-11-17/h3-4,14-15H,1-2,5-13H2/i8+2,12+2.
What are the key properties of 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane?
4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane has a molecular weight of 254.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-((214C)azinan-1-yl)hexa-1,5-dien-3-yl]-(614C)1,4-oxazinane is sourced from PubChem (CID 173308195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).