2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine

C12H24N2 — CID 83054296

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CC2CCC1C2
InChIInChI=1S/C12H24N2/c1-3-4-12(8-13-2)14-9-10-5-6-11(14)7-10/h10-13H,3-9H2,1-2H3
InChIKeyMZNZRSSNPVGOIK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine (PubChem CID 83054296) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine
PubChem CID83054296
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CC2CCC1C2
InChIInChI=1S/C12H24N2/c1-3-4-12(8-13-2)14-9-10-5-6-11(14)7-10/h10-13H,3-9H2,1-2H3
InChIKeyMZNZRSSNPVGOIK-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine (CID 83054296) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine is CCCC(CNC)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine?
The InChIKey is MZNZRSSNPVGOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-12(8-13-2)14-9-10-5-6-11(14)7-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 83054296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).