N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine

C12H23NO3 — CID 104748716

IUPACN-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESCNC(COCC1CCCO1)C1CCOC1
InChIInChI=1S/C12H23NO3/c1-13-12(10-4-6-14-7-10)9-15-8-11-3-2-5-16-11/h10-13H,2-9H2,1H3
InChIKeyATMMTKSUPQSDJJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.81
Rot. Bonds6

About N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine

N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine (PubChem CID 104748716) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
PubChem CID104748716
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESCNC(COCC1CCCO1)C1CCOC1
InChIInChI=1S/C12H23NO3/c1-13-12(10-4-6-14-7-10)9-15-8-11-3-2-5-16-11/h10-13H,2-9H2,1H3
InChIKeyATMMTKSUPQSDJJ-UHFFFAOYSA-N
XLogP0.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine (CID 104748716) is N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine is CNC(COCC1CCCO1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine?
The InChIKey is ATMMTKSUPQSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13-12(10-4-6-14-7-10)9-15-8-11-3-2-5-16-11/h10-13H,2-9H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 104748716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).