(2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine

C12H19N — CID 139480929

IUPAC(2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine
SMILESCC/C1=C(C)/N=C(C)\C(C)=C/CC1
InChIInChI=1S/C12H19N/c1-5-12-8-6-7-9(2)10(3)13-11(12)4/h7H,5-6,8H2,1-4H3/b9-7-,12-11-,13-10-
InChIKeyZRDXRWKUEOXDSL-ALHRKNNDSA-N
MW177.29 g/mol
LogP3.87
Rot. Bonds1

About (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine

(2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine (PubChem CID 139480929) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine.

Molecular Properties

Compound Name(2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine
PubChem CID139480929
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine
SMILESCC/C1=C(C)/N=C(C)\C(C)=C/CC1
InChIInChI=1S/C12H19N/c1-5-12-8-6-7-9(2)10(3)13-11(12)4/h7H,5-6,8H2,1-4H3/b9-7-,12-11-,13-10-
InChIKeyZRDXRWKUEOXDSL-ALHRKNNDSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine?
The IUPAC name of (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine (CID 139480929) is (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine.
What is the SMILES notation for (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine?
The canonical SMILES for (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine is CC/C1=C(C)/N=C(C)\C(C)=C/CC1.
What is the InChIKey of (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine?
The InChIKey is ZRDXRWKUEOXDSL-ALHRKNNDSA-N. The full InChI is InChI=1S/C12H19N/c1-5-12-8-6-7-9(2)10(3)13-11(12)4/h7H,5-6,8H2,1-4H3/b9-7-,12-11-,13-10-.
What are the key properties of (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine?
(2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine has a molecular weight of 177.29 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-3-ethyl-2,7,8-trimethyl-4,5-dihydroazocine is sourced from PubChem (CID 139480929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).