2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane

C9H17N — CID 90937023

IUPAC2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
SMILESCCN1C2CCC(C2)C1C
InChIInChI=1S/C9H17N/c1-3-10-7(2)8-4-5-9(10)6-8/h7-9H,3-6H2,1-2H3
InChIKeyNEIIXIRMZSVHQV-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds1

About 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane

2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 90937023) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID90937023
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
SMILESCCN1C2CCC(C2)C1C
InChIInChI=1S/C9H17N/c1-3-10-7(2)8-4-5-9(10)6-8/h7-9H,3-6H2,1-2H3
InChIKeyNEIIXIRMZSVHQV-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane (CID 90937023) is 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane is CCN1C2CCC(C2)C1C.
What is the InChIKey of 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is NEIIXIRMZSVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-10-7(2)8-4-5-9(10)6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane?
2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 90937023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).