N,N-dimethylmethanamine;ethane;3-methyloxet-2-one

C9H19NO2 — CID 67830018

IUPACN,N-dimethylmethanamine;ethane;3-methyloxet-2-one
SMILESCC.CC1=COC1=O.CN(C)C
InChIInChI=1S/C4H4O2.C3H9N.C2H6/c1-3-2-6-4(3)5;1-4(2)3;1-2/h2H,1H3;1-3H3;1-2H3
InChIKeyJHZFVZTZZRZDIY-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.65
Rot. Bonds

About N,N-dimethylmethanamine;ethane;3-methyloxet-2-one

N,N-dimethylmethanamine;ethane;3-methyloxet-2-one (PubChem CID 67830018) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;3-methyloxet-2-one.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;3-methyloxet-2-one
PubChem CID67830018
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN,N-dimethylmethanamine;ethane;3-methyloxet-2-one
SMILESCC.CC1=COC1=O.CN(C)C
InChIInChI=1S/C4H4O2.C3H9N.C2H6/c1-3-2-6-4(3)5;1-4(2)3;1-2/h2H,1H3;1-3H3;1-2H3
InChIKeyJHZFVZTZZRZDIY-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;3-methyloxet-2-one?
The IUPAC name of N,N-dimethylmethanamine;ethane;3-methyloxet-2-one (CID 67830018) is N,N-dimethylmethanamine;ethane;3-methyloxet-2-one.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;3-methyloxet-2-one?
The canonical SMILES for N,N-dimethylmethanamine;ethane;3-methyloxet-2-one is CC.CC1=COC1=O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;ethane;3-methyloxet-2-one?
The InChIKey is JHZFVZTZZRZDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.C3H9N.C2H6/c1-3-2-6-4(3)5;1-4(2)3;1-2/h2H,1H3;1-3H3;1-2H3.
What are the key properties of N,N-dimethylmethanamine;ethane;3-methyloxet-2-one?
N,N-dimethylmethanamine;ethane;3-methyloxet-2-one has a molecular weight of 173.26 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;3-methyloxet-2-one is sourced from PubChem (CID 67830018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).