N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine

C13H25NO2 — CID 115846781

IUPACN-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)C1OCCC1C
InChIInChI=1S/C13H25NO2/c1-10-3-8-16-13(10)12(14-2)9-11-4-6-15-7-5-11/h10-14H,3-9H2,1-2H3
InChIKeyYIBZKUIUYAOMMQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine

N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 115846781) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine
PubChem CID115846781
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)C1OCCC1C
InChIInChI=1S/C13H25NO2/c1-10-3-8-16-13(10)12(14-2)9-11-4-6-15-7-5-11/h10-14H,3-9H2,1-2H3
InChIKeyYIBZKUIUYAOMMQ-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
4,4,4-trifluoro-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 104992739
4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
CID 104992740
N-ethyl-4,4,4-trifluoro-1-(3-methyloxolan-2-yl)butan-1-amine
CID 104992792
5,5,5-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105024010
1-(4,4-difluorocyclohexyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 105156713
3-[2-Fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine
CID 113462386
5,5,5-trifluoro-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 113672060
N-ethyl-5,5,5-trifluoro-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 113672072
2-(3,3-difluorocyclohexyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 114224850
2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 114224886
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 114225743

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine (CID 115846781) is N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)C1OCCC1C.
What is the InChIKey of N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is YIBZKUIUYAOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-3-8-16-13(10)12(14-2)9-11-4-6-15-7-5-11/h10-14H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine?
N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).