(1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine

C6H11NO — CID 84647694

IUPAC(1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine
SMILESCNC1[C@H]2CCO[C@@H]12
InChIInChI=1S/C6H11NO/c1-7-5-4-2-3-8-6(4)5/h4-7H,2-3H2,1H3/t4-,5?,6-/m1/s1
InChIKeyHYYQMVOZGVJCGP-SPWIIUKKSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds1

About (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine

(1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 84647694) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine
PubChem CID84647694
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine
SMILESCNC1[C@H]2CCO[C@@H]12
InChIInChI=1S/C6H11NO/c1-7-5-4-2-3-8-6(4)5/h4-7H,2-3H2,1H3/t4-,5?,6-/m1/s1
InChIKeyHYYQMVOZGVJCGP-SPWIIUKKSA-N
XLogP-0.01
TPSA21.26 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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine (CID 84647694) is (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine is CNC1[C@H]2CCO[C@@H]12.
What is the InChIKey of (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine?
The InChIKey is HYYQMVOZGVJCGP-SPWIIUKKSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-5-4-2-3-8-6(4)5/h4-7H,2-3H2,1H3/t4-,5?,6-/m1/s1.
What are the key properties of (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine?
(1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 113.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-methyl-2-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 84647694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).