(6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine

C9H15N — CID 123453305

IUPAC(6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine
SMILESCC1/C=C\C=N/CCC1C
InChIInChI=1S/C9H15N/c1-8-4-3-6-10-7-5-9(8)2/h3-4,6,8-9H,5,7H2,1-2H3/b4-3-,10-6-
InChIKeyAMNKCUWZYZGDRH-YVCTXXAJSA-N
MW137.23 g/mol
LogP2.29
Rot. Bonds

About (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine

(6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine (PubChem CID 123453305) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine.

Molecular Properties

Compound Name(6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine
PubChem CID123453305
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine
SMILESCC1/C=C\C=N/CCC1C
InChIInChI=1S/C9H15N/c1-8-4-3-6-10-7-5-9(8)2/h3-4,6,8-9H,5,7H2,1-2H3/b4-3-,10-6-
InChIKeyAMNKCUWZYZGDRH-YVCTXXAJSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine?
The IUPAC name of (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine (CID 123453305) is (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine.
What is the SMILES notation for (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine?
The canonical SMILES for (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine is CC1/C=C\C=N/CCC1C.
What is the InChIKey of (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine?
The InChIKey is AMNKCUWZYZGDRH-YVCTXXAJSA-N. The full InChI is InChI=1S/C9H15N/c1-8-4-3-6-10-7-5-9(8)2/h3-4,6,8-9H,5,7H2,1-2H3/b4-3-,10-6-.
What are the key properties of (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine?
(6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine has a molecular weight of 137.23 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine is sourced from PubChem (CID 123453305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).