(5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine

C10H19N — CID 58293721

IUPAC(5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESCC1C/C=C\CCN(C)C1C
InChIInChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h4-5,9-10H,6-8H2,1-3H3/b5-4-
InChIKeyGFLIRODDMMLAEA-PLNGDYQASA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds

About (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine

(5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine (PubChem CID 58293721) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine.

Molecular Properties

Compound Name(5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine
PubChem CID58293721
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESCC1C/C=C\CCN(C)C1C
InChIInChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h4-5,9-10H,6-8H2,1-3H3/b5-4-
InChIKeyGFLIRODDMMLAEA-PLNGDYQASA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
The IUPAC name of (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine (CID 58293721) is (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine.
What is the SMILES notation for (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
The canonical SMILES for (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine is CC1C/C=C\CCN(C)C1C.
What is the InChIKey of (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
The InChIKey is GFLIRODDMMLAEA-PLNGDYQASA-N. The full InChI is InChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h4-5,9-10H,6-8H2,1-3H3/b5-4-.
What are the key properties of (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
(5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine has a molecular weight of 153.27 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 (5Z)-1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine is sourced from PubChem (CID 58293721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).