1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane

C10H19N — CID 138707050

IUPAC1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
SMILESCCCC1C2CNCC1(C)C2
InChIInChI=1S/C10H19N/c1-3-4-9-8-5-10(9,2)7-11-6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyOXOLPBXUNVPYKD-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds2

About 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane

1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane (PubChem CID 138707050) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
PubChem CID138707050
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
SMILESCCCC1C2CNCC1(C)C2
InChIInChI=1S/C10H19N/c1-3-4-9-8-5-10(9,2)7-11-6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyOXOLPBXUNVPYKD-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane (CID 138707050) is 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane is CCCC1C2CNCC1(C)C2.
What is the InChIKey of 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane?
The InChIKey is OXOLPBXUNVPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-9-8-5-10(9,2)7-11-6-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane?
1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 138707050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).