(7Z)-7-ethyl-3,4,5,6-tetrahydroazocine

C9H15N — CID 90997138

IUPAC(7Z)-7-ethyl-3,4,5,6-tetrahydroazocine
SMILESCC/C1=C/N=C\CCCC1
InChIInChI=1S/C9H15N/c1-2-9-6-4-3-5-7-10-8-9/h7-8H,2-6H2,1H3/b9-8-,10-7-
InChIKeyYWMLOKNHKNYPCK-NFIXMJHSSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds1

About (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine

(7Z)-7-ethyl-3,4,5,6-tetrahydroazocine (PubChem CID 90997138) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine.

Molecular Properties

Compound Name(7Z)-7-ethyl-3,4,5,6-tetrahydroazocine
PubChem CID90997138
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(7Z)-7-ethyl-3,4,5,6-tetrahydroazocine
SMILESCC/C1=C/N=C\CCCC1
InChIInChI=1S/C9H15N/c1-2-9-6-4-3-5-7-10-8-9/h7-8H,2-6H2,1H3/b9-8-,10-7-
InChIKeyYWMLOKNHKNYPCK-NFIXMJHSSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine?
The IUPAC name of (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine (CID 90997138) is (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine.
What is the SMILES notation for (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine?
The canonical SMILES for (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine is CC/C1=C/N=C\CCCC1.
What is the InChIKey of (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine?
The InChIKey is YWMLOKNHKNYPCK-NFIXMJHSSA-N. The full InChI is InChI=1S/C9H15N/c1-2-9-6-4-3-5-7-10-8-9/h7-8H,2-6H2,1H3/b9-8-,10-7-.
What are the key properties of (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine?
(7Z)-7-ethyl-3,4,5,6-tetrahydroazocine has a molecular weight of 137.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethyl-3,4,5,6-tetrahydroazocine is sourced from PubChem (CID 90997138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).