1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine

C10H21NO — CID 89099167

IUPAC1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine
SMILESCCC1OC(C)C(C)C1CNC
InChIInChI=1S/C10H21NO/c1-5-10-9(6-11-4)7(2)8(3)12-10/h7-11H,5-6H2,1-4H3
InChIKeyIDIDZNKMELADFB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds3

About 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine

1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine (PubChem CID 89099167) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine
PubChem CID89099167
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine
SMILESCCC1OC(C)C(C)C1CNC
InChIInChI=1S/C10H21NO/c1-5-10-9(6-11-4)7(2)8(3)12-10/h7-11H,5-6H2,1-4H3
InChIKeyIDIDZNKMELADFB-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine (CID 89099167) is 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine is CCC1OC(C)C(C)C1CNC.
What is the InChIKey of 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine?
The InChIKey is IDIDZNKMELADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10-9(6-11-4)7(2)8(3)12-10/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine?
1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 89099167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).