2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine

C13H27NO3 — CID 155235864

IUPAC2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCC1COC(C)(C)OC1
InChIInChI=1S/C13H27NO3/c1-5-14(6-2)7-8-15-9-12-10-16-13(3,4)17-11-12/h12H,5-11H2,1-4H3
InChIKeySYCCSHRDQJEXPD-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.74
Rot. Bonds7

About 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine

2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine (PubChem CID 155235864) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine
PubChem CID155235864
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCC1COC(C)(C)OC1
InChIInChI=1S/C13H27NO3/c1-5-14(6-2)7-8-15-9-12-10-16-13(3,4)17-11-12/h12H,5-11H2,1-4H3
InChIKeySYCCSHRDQJEXPD-UHFFFAOYSA-N
XLogP1.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine (CID 155235864) is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine is CCN(CC)CCOCC1COC(C)(C)OC1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine?
The InChIKey is SYCCSHRDQJEXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-14(6-2)7-8-15-9-12-10-16-13(3,4)17-11-12/h12H,5-11H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine?
2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine has a molecular weight of 245.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 155235864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).