2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine

C12H21N — CID 126591328

IUPAC2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine
SMILESC=C1C(C)C(C)N=C(C)C1C(C)C
InChIInChI=1S/C12H21N/c1-7(2)12-9(4)8(3)10(5)13-11(12)6/h7-8,10,12H,4H2,1-3,5-6H3
InChIKeyUFWUULQISCTMQA-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.31
Rot. Bonds1

About 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine

2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine (PubChem CID 126591328) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine
PubChem CID126591328
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine
SMILESC=C1C(C)C(C)N=C(C)C1C(C)C
InChIInChI=1S/C12H21N/c1-7(2)12-9(4)8(3)10(5)13-11(12)6/h7-8,10,12H,4H2,1-3,5-6H3
InChIKeyUFWUULQISCTMQA-UHFFFAOYSA-N
XLogP3.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.31
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

2,2,4-trimethyl-6-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
CID 59017032
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,13,14,14a-dodecahydrocyclododeca[c]pyridine
CID 89994118
4-Hexyl-2,3,5-trimethyl-3,4-dihydropyridine
CID 90075443
N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine
CID 90804137
2,3-Dimethyl-5-pentyl-3,4-dihydropyridine
CID 90804373
4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 91316764
2,2,4,6-Tetramethyl-5-methylidene-3,4-dihydropyridine
CID 91566590
N-ethyl-3,6,7-trimethyloct-7-en-4-imine
CID 123411082
12,15-Dimethyl-13-azabicyclo[9.4.0]pentadeca-12,14-diene
CID 124196302
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
CID 126695537

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine?
The IUPAC name of 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine (CID 126591328) is 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine.
What is the SMILES notation for 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine?
The canonical SMILES for 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine is C=C1C(C)C(C)N=C(C)C1C(C)C.
What is the InChIKey of 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine?
The InChIKey is UFWUULQISCTMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-7(2)12-9(4)8(3)10(5)13-11(12)6/h7-8,10,12H,4H2,1-3,5-6H3.
What are the key properties of 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine?
2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-methylidene-5-propan-2-yl-3,5-dihydro-2H-pyridine is sourced from PubChem (CID 126591328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).