N,N-diethylethanamine;oxetane

C12H27NO2 — CID 66862478

IUPACN,N-diethylethanamine;oxetane
SMILESC1COC1.C1COC1.CCN(CC)CC
InChIInChI=1S/C6H15N.2C3H6O/c1-4-7(5-2)6-3;2*1-2-4-3-1/h4-6H2,1-3H3;2*1-3H2
InChIKeyNQSNHHXCKUZQAI-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.16
Rot. Bonds3

About N,N-diethylethanamine;oxetane

N,N-diethylethanamine;oxetane (PubChem CID 66862478) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N,N-diethylethanamine;oxetane.

Molecular Properties

Compound NameN,N-diethylethanamine;oxetane
PubChem CID66862478
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN,N-diethylethanamine;oxetane
SMILESC1COC1.C1COC1.CCN(CC)CC
InChIInChI=1S/C6H15N.2C3H6O/c1-4-7(5-2)6-3;2*1-2-4-3-1/h4-6H2,1-3H3;2*1-3H2
InChIKeyNQSNHHXCKUZQAI-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;oxetane?
The IUPAC name of N,N-diethylethanamine;oxetane (CID 66862478) is N,N-diethylethanamine;oxetane.
What is the SMILES notation for N,N-diethylethanamine;oxetane?
The canonical SMILES for N,N-diethylethanamine;oxetane is C1COC1.C1COC1.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;oxetane?
The InChIKey is NQSNHHXCKUZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2C3H6O/c1-4-7(5-2)6-3;2*1-2-4-3-1/h4-6H2,1-3H3;2*1-3H2.
What are the key properties of N,N-diethylethanamine;oxetane?
N,N-diethylethanamine;oxetane has a molecular weight of 217.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;oxetane is sourced from PubChem (CID 66862478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).