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

C6H13NO — CID 95396571

IUPAC(1R)-1-[(3S)-oxolan-3-yl]ethanamine
SMILESC[C@@H](N)[C@@H]1CCOC1
InChIInChI=1S/C6H13NO/c1-5(7)6-2-3-8-4-6/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyJCIAQQOICXUMNX-PHDIDXHHSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds1

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

(1R)-1-[(3S)-oxolan-3-yl]ethanamine (PubChem CID 95396571) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (1R)-1-[(3S)-oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(3S)-oxolan-3-yl]ethanamine
PubChem CID95396571
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(1R)-1-[(3S)-oxolan-3-yl]ethanamine
SMILESC[C@@H](N)[C@@H]1CCOC1
InChIInChI=1S/C6H13NO/c1-5(7)6-2-3-8-4-6/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyJCIAQQOICXUMNX-PHDIDXHHSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
4-amino-3-(oxolan-3-yl)pentan-1-ol
CID 66091697
2-amino-3-(oxolan-3-yl)butanoic acid
CID 164654372
1-(oxolan-3-yl)butan-1-amine
CID 63564938
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
bis(oxan-3-yl)methanamine
CID 107136437

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-oxolan-3-yl]ethanamine?
The IUPAC name of (1R)-1-[(3S)-oxolan-3-yl]ethanamine (CID 95396571) is (1R)-1-[(3S)-oxolan-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(3S)-oxolan-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[(3S)-oxolan-3-yl]ethanamine is C[C@@H](N)[C@@H]1CCOC1.
What is the InChIKey of (1R)-1-[(3S)-oxolan-3-yl]ethanamine?
The InChIKey is JCIAQQOICXUMNX-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7)6-2-3-8-4-6/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of (1R)-1-[(3S)-oxolan-3-yl]ethanamine?
(1R)-1-[(3S)-oxolan-3-yl]ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-oxolan-3-yl]ethanamine is sourced from PubChem (CID 95396571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).