1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine

C9H19NO — CID 114534117

IUPAC1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine
SMILESCCC1(CNC)CCOC1C
InChIInChI=1S/C9H19NO/c1-4-9(7-10-3)5-6-11-8(9)2/h8,10H,4-7H2,1-3H3
InChIKeyUKLBQRLLOXYHEI-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

About 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine

1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine (PubChem CID 114534117) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine
PubChem CID114534117
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine
SMILESCCC1(CNC)CCOC1C
InChIInChI=1S/C9H19NO/c1-4-9(7-10-3)5-6-11-8(9)2/h8,10H,4-7H2,1-3H3
InChIKeyUKLBQRLLOXYHEI-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine (CID 114534117) is 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine is CCC1(CNC)CCOC1C.
What is the InChIKey of 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine?
The InChIKey is UKLBQRLLOXYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(7-10-3)5-6-11-8(9)2/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine?
1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 114534117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).