2-(oxan-4-yl)ethanamine

C7H15NO — CID 2773198

IUPAC2-(oxan-4-yl)ethanamine
SMILESNCCC1CCOCC1
InChIInChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2
InChIKeyBZMADPOGYCRPAI-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds2

About 2-(oxan-4-yl)ethanamine

2-(oxan-4-yl)ethanamine (PubChem CID 2773198) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)ethanamine
PubChem CID2773198
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(oxan-4-yl)ethanamine
SMILESNCCC1CCOCC1
InChIInChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2
InChIKeyBZMADPOGYCRPAI-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)ethanamine (CID 2773198) is 2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)ethanamine is NCCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)ethanamine?
The InChIKey is BZMADPOGYCRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2.
What are the key properties of 2-(oxan-4-yl)ethanamine?
2-(oxan-4-yl)ethanamine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 2773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).