7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane

C10H19N — CID 146555370

IUPAC7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane
SMILESCC(C)CC1C2CCCC1N2
InChIInChI=1S/C10H19N/c1-7(2)6-8-9-4-3-5-10(8)11-9/h7-11H,3-6H2,1-2H3
InChIKeyMRYXWZMXOSLTFP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds2

About 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane

7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane (PubChem CID 146555370) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane
PubChem CID146555370
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane
SMILESCC(C)CC1C2CCCC1N2
InChIInChI=1S/C10H19N/c1-7(2)6-8-9-4-3-5-10(8)11-9/h7-11H,3-6H2,1-2H3
InChIKeyMRYXWZMXOSLTFP-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane (CID 146555370) is 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane is CC(C)CC1C2CCCC1N2.
What is the InChIKey of 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane?
The InChIKey is MRYXWZMXOSLTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)6-8-9-4-3-5-10(8)11-9/h7-11H,3-6H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane?
7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 146555370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).