3,5-dimethyl-6-octyl-3,4-dihydropyridine

C15H27N — CID 54387990

IUPAC3,5-dimethyl-6-octyl-3,4-dihydropyridine
SMILESCCCCCCCCC1=C(C)CC(C)C=N1
InChIInChI=1S/C15H27N/c1-4-5-6-7-8-9-10-15-14(3)11-13(2)12-16-15/h12-13H,4-11H2,1-3H3
InChIKeyVEQBXPLMRDKUSK-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.12
Rot. Bonds7

About 3,5-dimethyl-6-octyl-3,4-dihydropyridine

3,5-dimethyl-6-octyl-3,4-dihydropyridine (PubChem CID 54387990) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3,5-dimethyl-6-octyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3,5-dimethyl-6-octyl-3,4-dihydropyridine
PubChem CID54387990
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3,5-dimethyl-6-octyl-3,4-dihydropyridine
SMILESCCCCCCCCC1=C(C)CC(C)C=N1
InChIInChI=1S/C15H27N/c1-4-5-6-7-8-9-10-15-14(3)11-13(2)12-16-15/h12-13H,4-11H2,1-3H3
InChIKeyVEQBXPLMRDKUSK-UHFFFAOYSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 20187842
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CID 59105252
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
5-ethyl-4,5,6,7-tetrahydro-3H-indole
CID 68040987
4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 68209656
4-(2,4-dimethylpentan-3-ylidene)-3,5-dihydro-2H-pyridine
CID 68354026
3,5-dimethyl-4-propyl-3H-pyrrole
CID 69174213
5-methyl-4,5,6,7-tetrahydro-3H-indole
CID 70571864
3-Methyl-6-octyl-3,4-dihydropyridine
CID 71148391
5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 89185960

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-octyl-3,4-dihydropyridine?
The IUPAC name of 3,5-dimethyl-6-octyl-3,4-dihydropyridine (CID 54387990) is 3,5-dimethyl-6-octyl-3,4-dihydropyridine.
What is the SMILES notation for 3,5-dimethyl-6-octyl-3,4-dihydropyridine?
The canonical SMILES for 3,5-dimethyl-6-octyl-3,4-dihydropyridine is CCCCCCCCC1=C(C)CC(C)C=N1.
What is the InChIKey of 3,5-dimethyl-6-octyl-3,4-dihydropyridine?
The InChIKey is VEQBXPLMRDKUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-5-6-7-8-9-10-15-14(3)11-13(2)12-16-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-6-octyl-3,4-dihydropyridine?
3,5-dimethyl-6-octyl-3,4-dihydropyridine has a molecular weight of 221.39 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-octyl-3,4-dihydropyridine is sourced from PubChem (CID 54387990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).