[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine

C6H11NO — CID 96848250

IUPAC[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNC[C@H]1[C@H]2CCO[C@H]21
InChIInChI=1S/C6H11NO/c7-3-5-4-1-2-8-6(4)5/h4-6H,1-3,7H2/t4-,5+,6-/m1/s1
InChIKeyAECSHWNFEPPOOE-NGJCXOISSA-N
MW113.16 g/mol
LogP-0.02
Rot. Bonds1

About [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine

[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 96848250) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound Name[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID96848250
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNC[C@H]1[C@H]2CCO[C@H]21
InChIInChI=1S/C6H11NO/c7-3-5-4-1-2-8-6(4)5/h4-6H,1-3,7H2/t4-,5+,6-/m1/s1
InChIKeyAECSHWNFEPPOOE-NGJCXOISSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,5R,6S)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 124555816
[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 59234196
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
CID 172551855
[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanamine
CID 124746900
2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol
CID 84648759
(1S,5R,6S)-6-[(4-bromophenoxy)methyl]-2-oxabicyclo[3.1.0]hexane
CID 124555811
[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride
CID 171921112
[2-(oxolan-2-yl)oxolan-3-yl]methanamine
CID 82837467
[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride
CID 45273960
1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine
CID 84731084
1,4-dioxan-2-ylmethanamine;(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-amine;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;[(2R)-oxan-2-yl]methanamine;[(2S)-oxan-2-yl]methanamine;oxan-4-ylmethanamine;bis(1-oxaspiro[2.5]octan-6-amine);[(2S)-oxolan-2-yl]methanamine;[(2R)-oxolan-2-yl]methanamine
CID 160750552
7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 79677956

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine (CID 96848250) is [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine is NC[C@H]1[C@H]2CCO[C@H]21.
What is the InChIKey of [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is AECSHWNFEPPOOE-NGJCXOISSA-N. The full InChI is InChI=1S/C6H11NO/c7-3-5-4-1-2-8-6(4)5/h4-6H,1-3,7H2/t4-,5+,6-/m1/s1.
What are the key properties of [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine?
[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 113.16 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 96848250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).