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

C9H17N — CID 22950918

IUPAC(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESC/C1=C/CCN(C)CCC1
InChIInChI=1S/C9H17N/c1-9-5-3-7-10(2)8-4-6-9/h5H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyHLAMIYWLTOBEJO-UITAMQMPSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds

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

(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine (PubChem CID 22950918) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine.

Molecular Properties

Compound Name(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
PubChem CID22950918
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESC/C1=C/CCN(C)CCC1
InChIInChI=1S/C9H17N/c1-9-5-3-7-10(2)8-4-6-9/h5H,3-4,6-8H2,1-2H3/b9-5-
InChIKeyHLAMIYWLTOBEJO-UITAMQMPSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
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)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
The IUPAC name of (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine (CID 22950918) is (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine.
What is the SMILES notation for (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
The canonical SMILES for (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine is C/C1=C/CCN(C)CCC1.
What is the InChIKey of (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
The InChIKey is HLAMIYWLTOBEJO-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17N/c1-9-5-3-7-10(2)8-4-6-9/h5H,3-4,6-8H2,1-2H3/b9-5-.
What are the key properties of (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine?
(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine is sourced from PubChem (CID 22950918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).