8-ethyl-3-propan-2-yl-4,5-dihydroazocine

C12H19N — CID 91102431

IUPAC8-ethyl-3-propan-2-yl-4,5-dihydroazocine
SMILESCC/C1=N/C=C(C(C)C)CCC=C1
InChIInChI=1S/C12H19N/c1-4-12-8-6-5-7-11(9-13-12)10(2)3/h6,8-10H,4-5,7H2,1-3H3/b8-6?,11-9?,13-12-
InChIKeyNTMISWKJXVEHRH-UMBVLEPFSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds2

About 8-ethyl-3-propan-2-yl-4,5-dihydroazocine

8-ethyl-3-propan-2-yl-4,5-dihydroazocine (PubChem CID 91102431) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 8-ethyl-3-propan-2-yl-4,5-dihydroazocine.

Molecular Properties

Compound Name8-ethyl-3-propan-2-yl-4,5-dihydroazocine
PubChem CID91102431
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name8-ethyl-3-propan-2-yl-4,5-dihydroazocine
SMILESCC/C1=N/C=C(C(C)C)CCC=C1
InChIInChI=1S/C12H19N/c1-4-12-8-6-5-7-11(9-13-12)10(2)3/h6,8-10H,4-5,7H2,1-3H3/b8-6?,11-9?,13-12-
InChIKeyNTMISWKJXVEHRH-UMBVLEPFSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
CID 166907528
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
4-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-2-methyl-3H-pyrrole
CID 142825982
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
5-methyl-2,3-di(propan-2-yl)-4H-pyridin-4-ide;yttrium
CID 58763043
3-Propan-2-ylcyclopenta[c]pyrrole
CID 67439504
2,5-dimethyl-3-(2-methylpropyl)-3H-azepine
CID 67560504
6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
CID 67560950
(2S)-2-methyl-6-(2-methylpropyl)-2,3-dihydropyridine
CID 67991639
N-ethenyl-6-methylcyclohex-2-en-1-imine
CID 68332943

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-propan-2-yl-4,5-dihydroazocine?
The IUPAC name of 8-ethyl-3-propan-2-yl-4,5-dihydroazocine (CID 91102431) is 8-ethyl-3-propan-2-yl-4,5-dihydroazocine.
What is the SMILES notation for 8-ethyl-3-propan-2-yl-4,5-dihydroazocine?
The canonical SMILES for 8-ethyl-3-propan-2-yl-4,5-dihydroazocine is CC/C1=N/C=C(C(C)C)CCC=C1.
What is the InChIKey of 8-ethyl-3-propan-2-yl-4,5-dihydroazocine?
The InChIKey is NTMISWKJXVEHRH-UMBVLEPFSA-N. The full InChI is InChI=1S/C12H19N/c1-4-12-8-6-5-7-11(9-13-12)10(2)3/h6,8-10H,4-5,7H2,1-3H3/b8-6?,11-9?,13-12-.
What are the key properties of 8-ethyl-3-propan-2-yl-4,5-dihydroazocine?
8-ethyl-3-propan-2-yl-4,5-dihydroazocine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-propan-2-yl-4,5-dihydroazocine is sourced from PubChem (CID 91102431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).