1,3,7-triethyl-3-azabicyclo[3.2.0]heptane

C12H23N — CID 135213288

IUPAC1,3,7-triethyl-3-azabicyclo[3.2.0]heptane
SMILESCCC1CC2CN(CC)CC12CC
InChIInChI=1S/C12H23N/c1-4-10-7-11-8-13(6-3)9-12(10,11)5-2/h10-11H,4-9H2,1-3H3
InChIKeyMOUOUHYJRWAYAY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds3

About 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane

1,3,7-triethyl-3-azabicyclo[3.2.0]heptane (PubChem CID 135213288) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1,3,7-triethyl-3-azabicyclo[3.2.0]heptane
PubChem CID135213288
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1,3,7-triethyl-3-azabicyclo[3.2.0]heptane
SMILESCCC1CC2CN(CC)CC12CC
InChIInChI=1S/C12H23N/c1-4-10-7-11-8-13(6-3)9-12(10,11)5-2/h10-11H,4-9H2,1-3H3
InChIKeyMOUOUHYJRWAYAY-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane (CID 135213288) is 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane is CCC1CC2CN(CC)CC12CC.
What is the InChIKey of 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is MOUOUHYJRWAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10-7-11-8-13(6-3)9-12(10,11)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane?
1,3,7-triethyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-triethyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 135213288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).