(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine

C12H21N3 — CID 144521910

IUPAC(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
SMILESCCC1=CC(C)/C(NC)=C(NC)\N=C/C1
InChIInChI=1S/C12H21N3/c1-5-10-6-7-15-12(14-4)11(13-3)9(2)8-10/h7-9,13-14H,5-6H2,1-4H3/b10-8?,12-11+,15-7-
InChIKeyZEAFMXKATLDICP-HCJBVQIVSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds3

About (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine

(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine (PubChem CID 144521910) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine.

Molecular Properties

Compound Name(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
PubChem CID144521910
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine
SMILESCCC1=CC(C)/C(NC)=C(NC)\N=C/C1
InChIInChI=1S/C12H21N3/c1-5-10-6-7-15-12(14-4)11(13-3)9(2)8-10/h7-9,13-14H,5-6H2,1-4H3/b10-8?,12-11+,15-7-
InChIKeyZEAFMXKATLDICP-HCJBVQIVSA-N
XLogP2.04
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
The IUPAC name of (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine (CID 144521910) is (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine.
What is the SMILES notation for (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
The canonical SMILES for (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine is CCC1=CC(C)/C(NC)=C(NC)\N=C/C1.
What is the InChIKey of (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
The InChIKey is ZEAFMXKATLDICP-HCJBVQIVSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-10-6-7-15-12(14-4)11(13-3)9(2)8-10/h7-9,13-14H,5-6H2,1-4H3/b10-8?,12-11+,15-7-.
What are the key properties of (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine?
(1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7E)-4-ethyl-7-N,8-N,6-trimethyl-3,6-dihydroazocine-7,8-diamine is sourced from PubChem (CID 144521910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).