N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine

C6H11NO — CID 84647696

IUPACN-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCNC1C2COCC21
InChIInChI=1S/C6H11NO/c1-7-6-4-2-8-3-5(4)6/h4-7H,2-3H2,1H3
InChIKeyZYPFNKJMINBOIB-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.15
Rot. Bonds1

About N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine

N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 84647696) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
PubChem CID84647696
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCNC1C2COCC21
InChIInChI=1S/C6H11NO/c1-7-6-4-2-8-3-5(4)6/h4-7H,2-3H2,1H3
InChIKeyZYPFNKJMINBOIB-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine (CID 84647696) is N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine is CNC1C2COCC21.
What is the InChIKey of N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
The InChIKey is ZYPFNKJMINBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-6-4-2-8-3-5(4)6/h4-7H,2-3H2,1H3.
What are the key properties of N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 113.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 84647696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).