2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine

C11H22N2O — CID 62535883

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)(CN)N1CC2CCC1C2
InChIInChI=1S/C11H22N2O/c1-11(7-12,8-14-2)13-6-9-3-4-10(13)5-9/h9-10H,3-8,12H2,1-2H3
InChIKeyMXMBOJWJVIBUML-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine (PubChem CID 62535883) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine
PubChem CID62535883
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)(CN)N1CC2CCC1C2
InChIInChI=1S/C11H22N2O/c1-11(7-12,8-14-2)13-6-9-3-4-10(13)5-9/h9-10H,3-8,12H2,1-2H3
InChIKeyMXMBOJWJVIBUML-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine (CID 62535883) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine is COCC(C)(CN)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine?
The InChIKey is MXMBOJWJVIBUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(7-12,8-14-2)13-6-9-3-4-10(13)5-9/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 62535883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).