6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate

C10H21NO2 — CID 166156697

IUPAC6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate
SMILESC.CC1(C)C2CNCC21.COC=O
InChIInChI=1S/C7H13N.C2H4O2.CH4/c1-7(2)5-3-8-4-6(5)7;1-4-2-3;/h5-6,8H,3-4H2,1-2H3;2H,1H3;1H4
InChIKeyWDEPPRAMICYNIK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.29
Rot. Bonds1

About 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate

6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate (PubChem CID 166156697) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate.

Molecular Properties

Compound Name6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate
PubChem CID166156697
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate
SMILESC.CC1(C)C2CNCC21.COC=O
InChIInChI=1S/C7H13N.C2H4O2.CH4/c1-7(2)5-3-8-4-6(5)7;1-4-2-3;/h5-6,8H,3-4H2,1-2H3;2H,1H3;1H4
InChIKeyWDEPPRAMICYNIK-UHFFFAOYSA-N
XLogP1.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate?
The IUPAC name of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate (CID 166156697) is 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate.
What is the SMILES notation for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate?
The canonical SMILES for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate is C.CC1(C)C2CNCC21.COC=O.
What is the InChIKey of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate?
The InChIKey is WDEPPRAMICYNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H4O2.CH4/c1-7(2)5-3-8-4-6(5)7;1-4-2-3;/h5-6,8H,3-4H2,1-2H3;2H,1H3;1H4.
What are the key properties of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate?
6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate has a molecular weight of 187.28 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane;methane;methyl formate is sourced from PubChem (CID 166156697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).