3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane

C15H31NO3 — CID 177187066

IUPAC3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane
SMILESCCC1(NC)CCOC1.COC1(C(C)C)CCOC1
InChIInChI=1S/C8H16O2.C7H15NO/c1-7(2)8(9-3)4-5-10-6-8;1-3-7(8-2)4-5-9-6-7/h7H,4-6H2,1-3H3;8H,3-6H2,1-2H3
InChIKeyDDFLJFZHZAZKJW-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.22
Rot. Bonds4

About 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane

3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane (PubChem CID 177187066) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane.

Molecular Properties

Compound Name3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane
PubChem CID177187066
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane
SMILESCCC1(NC)CCOC1.COC1(C(C)C)CCOC1
InChIInChI=1S/C8H16O2.C7H15NO/c1-7(2)8(9-3)4-5-10-6-8;1-3-7(8-2)4-5-9-6-7/h7H,4-6H2,1-3H3;8H,3-6H2,1-2H3
InChIKeyDDFLJFZHZAZKJW-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane?
The IUPAC name of 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane (CID 177187066) is 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane.
What is the SMILES notation for 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane?
The canonical SMILES for 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane is CCC1(NC)CCOC1.COC1(C(C)C)CCOC1.
What is the InChIKey of 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane?
The InChIKey is DDFLJFZHZAZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C7H15NO/c1-7(2)8(9-3)4-5-10-6-8;1-3-7(8-2)4-5-9-6-7/h7H,4-6H2,1-3H3;8H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane?
3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane has a molecular weight of 273.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyloxolan-3-amine;3-methoxy-3-propan-2-yloxolane is sourced from PubChem (CID 177187066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).