[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine

C6H11NO — CID 55285236

IUPAC[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNCC1[C@H]2COC[C@@H]12
InChIInChI=1S/C6H11NO/c7-1-4-5-2-8-3-6(4)5/h4-6H,1-3,7H2/t4?,5-,6+
InChIKeyAWZIRBSKQVRHQS-GOHHTPAQSA-N
MW113.16 g/mol
LogP-0.16
Rot. Bonds1

About [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine

[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 55285236) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID55285236
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNCC1[C@H]2COC[C@@H]12
InChIInChI=1S/C6H11NO/c7-1-4-5-2-8-3-6(4)5/h4-6H,1-3,7H2/t4?,5-,6+
InChIKeyAWZIRBSKQVRHQS-GOHHTPAQSA-N
XLogP-0.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminomethyltetrahydropyran
CID 2773210
2-(Oxan-4-yl)ethan-1-amine
CID 2773198
2-(Oxolan-3-yl)ethan-1-amine
CID 22355254
3-Oxabicyclo(3.1.0)hexan-6-ylmethanamine hydrochloride
CID 119031187
trans-3-Oxabicyclo[3.1.0]hexane-6-methylamine hydrochloride
CID 131698275
3-Oxabicyclo[3.1.0]hexan-6-amine
CID 52988031
{3-Oxabicyclo[3.1.0]hexan-6-yl}methanamine
CID 55285751
2-(4-Fluorooxolan-3-yl)ethanamine
CID 84762370
2-Fluoro-2-(oxolan-3-yl)ethan-1-amine
CID 112562685
(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]ethanamine
CID 129393031
(2S)-2-fluoro-2-[(3S)-oxolan-3-yl]ethanamine
CID 129393032
(2R)-2-fluoro-2-[(3R)-oxolan-3-yl]ethanamine
CID 129393033

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine (CID 55285236) is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine is NCC1[C@H]2COC[C@@H]12.
What is the InChIKey of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is AWZIRBSKQVRHQS-GOHHTPAQSA-N. The full InChI is InChI=1S/C6H11NO/c7-1-4-5-2-8-3-6(4)5/h4-6H,1-3,7H2/t4?,5-,6+.
What are the key properties of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 113.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 55285236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).