2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane

C10H19NO — CID 19854929

IUPAC2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane
SMILESCOCCCN1CC2CCC1C2
InChIInChI=1S/C10H19NO/c1-12-6-2-5-11-8-9-3-4-10(11)7-9/h9-10H,2-8H2,1H3
InChIKeyBOAUBSXLAROPQQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds4

About 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane

2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 19854929) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane
PubChem CID19854929
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane
SMILESCOCCCN1CC2CCC1C2
InChIInChI=1S/C10H19NO/c1-12-6-2-5-11-8-9-3-4-10(11)7-9/h9-10H,2-8H2,1H3
InChIKeyBOAUBSXLAROPQQ-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane (CID 19854929) is 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane is COCCCN1CC2CCC1C2.
What is the InChIKey of 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is BOAUBSXLAROPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-12-6-2-5-11-8-9-3-4-10(11)7-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane?
2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 19854929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).