(1S)-1-(oxan-4-yl)ethanamine

C7H15NO — CID 67033300

IUPAC(1S)-1-(oxan-4-yl)ethanamine
SMILESC[C@H](N)C1CCOCC1
InChIInChI=1S/C7H15NO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyWMPAKQDIADKRAQ-LURJTMIESA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds1

About (1S)-1-(oxan-4-yl)ethanamine

(1S)-1-(oxan-4-yl)ethanamine (PubChem CID 67033300) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1S)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(oxan-4-yl)ethanamine
PubChem CID67033300
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1S)-1-(oxan-4-yl)ethanamine
SMILESC[C@H](N)C1CCOCC1
InChIInChI=1S/C7H15NO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyWMPAKQDIADKRAQ-LURJTMIESA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 (1S)-1-(oxan-4-yl)ethanamine?
The IUPAC name of (1S)-1-(oxan-4-yl)ethanamine (CID 67033300) is (1S)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for (1S)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for (1S)-1-(oxan-4-yl)ethanamine is C[C@H](N)C1CCOCC1.
What is the InChIKey of (1S)-1-(oxan-4-yl)ethanamine?
The InChIKey is WMPAKQDIADKRAQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(oxan-4-yl)ethanamine?
(1S)-1-(oxan-4-yl)ethanamine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 67033300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).