3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine

C19H34N2O4 — CID 167481709

About 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine

3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine (PubChem CID 167481709) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine.

Molecular Properties

• Compound Name: 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine
• PubChem CID: 167481709
• Molecular Formula: C19H34N2O4
• Molecular Weight: 354.49 g/mol
• Exact Mass: 354.25
• IUPAC Name: 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine
• SMILES: CC1(C)C2CN(C(=O)CCOC3(C4CC4)CC3)CC21.CNC.O=CO
• InChI: InChI=1S/C16H25NO2.C2H7N.CH2O2/c1-15(2)12-9-17(10-13(12)15)14(18)5-8-19-16(6-7-16)11-3-4-11;1-3-2;2-1-3/h11-13H,3-10H2,1-2H3;3H,1-2H3;1H,(H,2,3)
• InChIKey: JUVHSHBNBSMORX-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.49
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine?

The IUPAC name of 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine (CID 167481709) is 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine.

What is the SMILES notation for 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine?

The canonical SMILES for 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine is CC1(C)C2CN(C(=O)CCOC3(C4CC4)CC3)CC21.CNC.O=CO.

What is the InChIKey of 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine?

The InChIKey is JUVHSHBNBSMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C2H7N.CH2O2/c1-15(2)12-9-17(10-13(12)15)14(18)5-8-19-16(6-7-16)11-3-4-11;1-3-2;2-1-3/h11-13H,3-10H2,1-2H3;3H,1-2H3;1H,(H,2,3).

What are the key properties of 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine?

3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine has a molecular weight of 354.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one;formic acid;N-methylmethanamine is sourced from PubChem (CID 167481709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).