8-tert-butyl-4-methyl-3,4-dihydroazocine

C12H19N — CID 123290206

IUPAC8-tert-butyl-4-methyl-3,4-dihydroazocine
SMILESCC1C=CC=C(C(C)(C)C)/N=C\C1
InChIInChI=1S/C12H19N/c1-10-6-5-7-11(12(2,3)4)13-9-8-10/h5-7,9-10H,8H2,1-4H3/b6-5?,11-7?,13-9-
InChIKeyJYWDYPVHIQJHHQ-WJRIWQAZSA-N
MW177.29 g/mol
LogP3.58
Rot. Bonds

About 8-tert-butyl-4-methyl-3,4-dihydroazocine

8-tert-butyl-4-methyl-3,4-dihydroazocine (PubChem CID 123290206) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 8-tert-butyl-4-methyl-3,4-dihydroazocine.

Molecular Properties

Compound Name8-tert-butyl-4-methyl-3,4-dihydroazocine
PubChem CID123290206
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name8-tert-butyl-4-methyl-3,4-dihydroazocine
SMILESCC1C=CC=C(C(C)(C)C)/N=C\C1
InChIInChI=1S/C12H19N/c1-10-6-5-7-11(12(2,3)4)13-9-8-10/h5-7,9-10H,8H2,1-4H3/b6-5?,11-7?,13-9-
InChIKeyJYWDYPVHIQJHHQ-WJRIWQAZSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diethyl-3H-pyrrole
CID 57710494
(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
CID 58763085
5-tert-butyl-3-ethyl-3H-pyrrole
CID 59669491
3-Ethenyl-6-ethyl-3,4-dihydropyridine
CID 68343847
N-[(Z)-5-methylhex-2-en-2-yl]ethanimine
CID 89193948
6-Ethyl-4-methyl-3,4-dihydropyridine
CID 89240113
6-Ethyl-3-methyl-3,4-dihydropyridine
CID 89379865
3,5-di(propan-2-yl)-3H-pyrrole
CID 89931994
8-Methyl-3,4-dihydroazocine
CID 90690050
(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine
CID 90737213
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
CID 90880500

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-methyl-3,4-dihydroazocine?
The IUPAC name of 8-tert-butyl-4-methyl-3,4-dihydroazocine (CID 123290206) is 8-tert-butyl-4-methyl-3,4-dihydroazocine.
What is the SMILES notation for 8-tert-butyl-4-methyl-3,4-dihydroazocine?
The canonical SMILES for 8-tert-butyl-4-methyl-3,4-dihydroazocine is CC1C=CC=C(C(C)(C)C)/N=C\C1.
What is the InChIKey of 8-tert-butyl-4-methyl-3,4-dihydroazocine?
The InChIKey is JYWDYPVHIQJHHQ-WJRIWQAZSA-N. The full InChI is InChI=1S/C12H19N/c1-10-6-5-7-11(12(2,3)4)13-9-8-10/h5-7,9-10H,8H2,1-4H3/b6-5?,11-7?,13-9-.
What are the key properties of 8-tert-butyl-4-methyl-3,4-dihydroazocine?
8-tert-butyl-4-methyl-3,4-dihydroazocine has a molecular weight of 177.29 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-methyl-3,4-dihydroazocine is sourced from PubChem (CID 123290206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).