1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine

C10H19N — CID 76744102

IUPAC1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESCC1CC=CCCN(C)C1C
InChIInChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h4-5,9-10H,6-8H2,1-3H3
InChIKeyGFLIRODDMMLAEA-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds

About 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine

1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine (PubChem CID 76744102) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine.

Molecular Properties

Compound Name1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine
PubChem CID76744102
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine
SMILESCC1CC=CCCN(C)C1C
InChIInChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h4-5,9-10H,6-8H2,1-3H3
InChIKeyGFLIRODDMMLAEA-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 49664
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3-Cyclohexene-1-methylamine, N-cyclopropyl-N-methyl-
CID 204472
Cyclopent-3-en-1-ylmethyl(trimethyl)azanium iodide
CID 85859474
Cyclopent-3-en-1-ylmethyl(trimethyl)azanium
CID 10888442
(4-Fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
CID 123839803
6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
CID 170144576
tetrahydromethyl-N,N-dimethylbenzylamine
CID 132427535
(Z)-N-ethyl-7-fluoro-N,3-dimethyloct-6-en-4-amine
CID 177053750
Cskrfyunlaviqp-htqzyqbosa-
CID 23270853
(5E)-1,6-di(propan-2-yl)-3,4,7,8-tetrahydro-2H-azocine
CID 57665888
(E)-N,7-dimethyl-N-propan-2-yloct-3-en-1-amine
CID 57689214

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
The IUPAC name of 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine (CID 76744102) is 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine.
What is the SMILES notation for 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
The canonical SMILES for 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine is CC1CC=CCCN(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
The InChIKey is GFLIRODDMMLAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9-7-5-4-6-8-11(3)10(9)2/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine?
1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-3,4,7,8-tetrahydro-2H-azocine is sourced from PubChem (CID 76744102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).