N-(oxolan-3-ylmethyl)ethanamine

C7H15NO — CID 22355252

IUPACN-(oxolan-3-ylmethyl)ethanamine
SMILESCCNCC1CCOC1
InChIInChI=1S/C7H15NO/c1-2-8-5-7-3-4-9-6-7/h7-8H,2-6H2,1H3
InChIKeyXUBOPJGJMYXBDW-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds3

About N-(oxolan-3-ylmethyl)ethanamine

N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 22355252) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)ethanamine
PubChem CID22355252
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(oxolan-3-ylmethyl)ethanamine
SMILESCCNCC1CCOC1
InChIInChI=1S/C7H15NO/c1-2-8-5-7-3-4-9-6-7/h7-8H,2-6H2,1H3
InChIKeyXUBOPJGJMYXBDW-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)ethanamine (CID 22355252) is N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)ethanamine is CCNCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is XUBOPJGJMYXBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-8-5-7-3-4-9-6-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)ethanamine?
N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 129.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 22355252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).