(6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine

C10H17N3 — CID 143066322

IUPAC(6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine
SMILESCC1=CC(C)(C)/C=C(N)\C(N)=N/C1
InChIInChI=1S/C10H17N3/c1-7-4-10(2,3)5-8(11)9(12)13-6-7/h4-5H,6,11H2,1-3H3,(H2,12,13)/b7-4?,8-5+
InChIKeyLQVKNLFDHPDYPB-SNRNYVCESA-N
MW179.27 g/mol
LogP1.17
Rot. Bonds

About (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine

(6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine (PubChem CID 143066322) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine.

Molecular Properties

Compound Name(6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine
PubChem CID143066322
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine
SMILESCC1=CC(C)(C)/C=C(N)\C(N)=N/C1
InChIInChI=1S/C10H17N3/c1-7-4-10(2,3)5-8(11)9(12)13-6-7/h4-5H,6,11H2,1-3H3,(H2,12,13)/b7-4?,8-5+
InChIKeyLQVKNLFDHPDYPB-SNRNYVCESA-N
XLogP1.17
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine?
The IUPAC name of (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine (CID 143066322) is (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine.
What is the SMILES notation for (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine?
The canonical SMILES for (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine is CC1=CC(C)(C)/C=C(N)\C(N)=N/C1.
What is the InChIKey of (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine?
The InChIKey is LQVKNLFDHPDYPB-SNRNYVCESA-N. The full InChI is InChI=1S/C10H17N3/c1-7-4-10(2,3)5-8(11)9(12)13-6-7/h4-5H,6,11H2,1-3H3,(H2,12,13)/b7-4?,8-5+.
What are the key properties of (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine?
(6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine is sourced from PubChem (CID 143066322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).