1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine

C17H31N — CID 159857957

IUPAC1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CC(C)CC1.CC1=C(C)CN(C)CC1
InChIInChI=1S/C9H16.C8H15N/c1-7-4-5-8(2)9(3)6-7;1-7-4-5-9(3)6-8(7)2/h7H,4-6H2,1-3H3;4-6H2,1-3H3
InChIKeyNQTRSLYNONAGEK-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.80
Rot. Bonds

About 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine

1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 159857957) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID159857957
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CC(C)CC1.CC1=C(C)CN(C)CC1
InChIInChI=1S/C9H16.C8H15N/c1-7-4-5-8(2)9(3)6-7;1-7-4-5-9(3)6-8(7)2/h7H,4-6H2,1-3H3;4-6H2,1-3H3
InChIKeyNQTRSLYNONAGEK-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.80
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

1,4,5-trimethylazepane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine;1,3,4-trimethyl-2,5-dihydropyrrole;1,3,4-trimethylpiperidine;1,3,4-trimethylpyrrolidine;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 159190601
ethane;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 170729600
2,4,7-trimethyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyridine
CID 162883519
bis(2-fluoro-1,4-dimethylcyclohexene);methane
CID 160664203
1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine;ethane
CID 170725640
2,3,5-trimethylcyclohept-2-en-1-one
CID 142093002
2,4-dimethylcyclohexene-1-carbaldehyde
CID 23505473
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23323988
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
1,4-dimethyl-5-prop-1-en-2-yl-3,6-dihydro-2H-pyridine
CID 143324265
4-iodo-1,2-dimethylcyclohexene
CID 86142441
(1Z)-1,2,3,3,6-pentamethylcyclooctene
CID 142284308

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine (CID 159857957) is 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine is CC1=C(C)CC(C)CC1.CC1=C(C)CN(C)CC1.
What is the InChIKey of 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is NQTRSLYNONAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C8H15N/c1-7-4-5-8(2)9(3)6-7;1-7-4-5-9(3)6-8(7)2/h7H,4-6H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 249.44 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylcyclohexene;1,4,5-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 159857957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).