N-methyl-2-(oxan-4-yl)ethanamine

C8H17NO — CID 20719713

IUPACN-methyl-2-(oxan-4-yl)ethanamine
SMILESCNCCC1CCOCC1
InChIInChI=1S/C8H17NO/c1-9-5-2-8-3-6-10-7-4-8/h8-9H,2-7H2,1H3
InChIKeyAFRJSXZUSJELQD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-2-(oxan-4-yl)ethanamine

N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 20719713) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)ethanamine
PubChem CID20719713
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-2-(oxan-4-yl)ethanamine
SMILESCNCCC1CCOCC1
InChIInChI=1S/C8H17NO/c1-9-5-2-8-3-6-10-7-4-8/h8-9H,2-7H2,1H3
InChIKeyAFRJSXZUSJELQD-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(oxan-4-yl)ethanamine (CID 20719713) is N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(oxan-4-yl)ethanamine is CNCCC1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is AFRJSXZUSJELQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-9-5-2-8-3-6-10-7-4-8/h8-9H,2-7H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-yl)ethanamine?
N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 20719713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).