(1S)-1-[(3R)-oxan-3-yl]ethanamine

C7H15NO — CID 96637700

IUPAC(1S)-1-[(3R)-oxan-3-yl]ethanamine
SMILESC[C@H](N)[C@H]1CCCOC1
InChIInChI=1S/C7H15NO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyVDAAJZJRNPGVNB-BQBZGAKWSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds1

About (1S)-1-[(3R)-oxan-3-yl]ethanamine

(1S)-1-[(3R)-oxan-3-yl]ethanamine (PubChem CID 96637700) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1S)-1-[(3R)-oxan-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(3R)-oxan-3-yl]ethanamine
PubChem CID96637700
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1S)-1-[(3R)-oxan-3-yl]ethanamine
SMILESC[C@H](N)[C@H]1CCCOC1
InChIInChI=1S/C7H15NO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyVDAAJZJRNPGVNB-BQBZGAKWSA-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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Related Compounds

(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
bis(oxan-3-yl)methanamine
CID 107136437
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
ethane;3-propan-2-yloxane
CID 143985480
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
[2,3-dimethyl-1-(oxan-3-yl)butyl]hydrazine
CID 107139917
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-oxan-3-yl]ethanamine?
The IUPAC name of (1S)-1-[(3R)-oxan-3-yl]ethanamine (CID 96637700) is (1S)-1-[(3R)-oxan-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(3R)-oxan-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[(3R)-oxan-3-yl]ethanamine is C[C@H](N)[C@H]1CCCOC1.
What is the InChIKey of (1S)-1-[(3R)-oxan-3-yl]ethanamine?
The InChIKey is VDAAJZJRNPGVNB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5,8H2,1H3/t6-,7-/m0/s1.
What are the key properties of (1S)-1-[(3R)-oxan-3-yl]ethanamine?
(1S)-1-[(3R)-oxan-3-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-[(3R)-oxan-3-yl]ethanamine is sourced from PubChem (CID 96637700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).