4,4-dimethyl-3,5-dihydro-2H-azocine

C9H15N — CID 123570067

IUPAC4,4-dimethyl-3,5-dihydro-2H-azocine
SMILESCC1(C)CC=C/C=N\CC1
InChIInChI=1S/C9H15N/c1-9(2)5-3-4-7-10-8-6-9/h3-4,7H,5-6,8H2,1-2H3/b4-3?,10-7-
InChIKeyZLMNEBYDGPMFER-YCBAEPLGSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About 4,4-dimethyl-3,5-dihydro-2H-azocine

4,4-dimethyl-3,5-dihydro-2H-azocine (PubChem CID 123570067) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4,4-dimethyl-3,5-dihydro-2H-azocine.

Molecular Properties

Compound Name4,4-dimethyl-3,5-dihydro-2H-azocine
PubChem CID123570067
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4,4-dimethyl-3,5-dihydro-2H-azocine
SMILESCC1(C)CC=C/C=N\CC1
InChIInChI=1S/C9H15N/c1-9(2)5-3-4-7-10-8-6-9/h3-4,7H,5-6,8H2,1-2H3/b4-3?,10-7-
InChIKeyZLMNEBYDGPMFER-YCBAEPLGSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
(6Z)-4,5-dimethyl-2,3,4,5-tetrahydroazocine
CID 123453305
4,4-Dimethyl-2,3-dihydroazepine
CID 123510241
4-ethenyl-N,4-dimethyloct-2-en-1-imine
CID 123657818
(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine
CID 123991276
3-Butan-2-yl-2,3-dihydropyridine
CID 129142798
(Z)-N-(3,3-dimethyl-4-methylidenehex-5-enyl)-4-methylhex-2-en-1-imine
CID 129311346
3-Ethyl-3,5-dimethyl-2,4-dihydroazepine
CID 132110267
3-ethyl-3-methyl-2H-pyridine
CID 142740210
3-tert-butyl-3-methyl-2H-pyridine
CID 146243823

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5-dihydro-2H-azocine?
The IUPAC name of 4,4-dimethyl-3,5-dihydro-2H-azocine (CID 123570067) is 4,4-dimethyl-3,5-dihydro-2H-azocine.
What is the SMILES notation for 4,4-dimethyl-3,5-dihydro-2H-azocine?
The canonical SMILES for 4,4-dimethyl-3,5-dihydro-2H-azocine is CC1(C)CC=C/C=N\CC1.
What is the InChIKey of 4,4-dimethyl-3,5-dihydro-2H-azocine?
The InChIKey is ZLMNEBYDGPMFER-YCBAEPLGSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2)5-3-4-7-10-8-6-9/h3-4,7H,5-6,8H2,1-2H3/b4-3?,10-7-.
What are the key properties of 4,4-dimethyl-3,5-dihydro-2H-azocine?
4,4-dimethyl-3,5-dihydro-2H-azocine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3,5-dihydro-2H-azocine is sourced from PubChem (CID 123570067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).