3,4,5,6-tetrahydro-2H-azonine

C8H13N — CID 91238205

IUPAC3,4,5,6-tetrahydro-2H-azonine
SMILESC1=CCCCCC/N=C\1
InChIInChI=1S/C8H13N/c1-2-4-6-8-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3?,9-7-
InChIKeyAISFDODSBUBWSY-JNKYCYOUSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-azonine

3,4,5,6-tetrahydro-2H-azonine (PubChem CID 91238205) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-azonine.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-azonine
PubChem CID91238205
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,4,5,6-tetrahydro-2H-azonine
SMILESC1=CCCCCC/N=C\1
InChIInChI=1S/C8H13N/c1-2-4-6-8-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3?,9-7-
InChIKeyAISFDODSBUBWSY-JNKYCYOUSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-azonine?
The IUPAC name of 3,4,5,6-tetrahydro-2H-azonine (CID 91238205) is 3,4,5,6-tetrahydro-2H-azonine.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-azonine?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-azonine is C1=CCCCCC/N=C\1.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-azonine?
The InChIKey is AISFDODSBUBWSY-JNKYCYOUSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-6-8-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3?,9-7-.
What are the key properties of 3,4,5,6-tetrahydro-2H-azonine?
3,4,5,6-tetrahydro-2H-azonine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-azonine is sourced from PubChem (CID 91238205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).