1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine

About 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine

1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 161331550) has the molecular formula C34H59N3 and a molecular weight of 509.87 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name	1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID	161331550
Molecular Formula	C34H59N3
Molecular Weight	509.87 g/mol
Exact Mass	509.47
IUPAC Name	1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILES	CC(C)C1=CCCCC1.CC(C)C1=CCNCC1.CC(C)C1=CN(C)CC=C1.CC(C)N1C=CCC=C1
InChI	InChI=1S/C9H15N.C9H16.C8H15N.C8H13N/c1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9/h4-5,7-8H,6H2,1-3H3;6,8H,3-5,7H2,1-2H3;3,7,9H,4-6H2,1-2H3;4-8H,3H2,1-2H3
InChIKey	VLMGBYWZIPCVEV-UHFFFAOYSA-N
XLogP	8.86
TPSA	18.51 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.87
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?

The IUPAC name of 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 161331550) is 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine.

What is the SMILES notation for 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?

The canonical SMILES for 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine is CC(C)C1=CCCCC1.CC(C)C1=CCNCC1.CC(C)C1=CN(C)CC=C1.CC(C)N1C=CCC=C1.

What is the InChIKey of 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?

The InChIKey is VLMGBYWZIPCVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C9H16.C8H15N.C8H13N/c1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-8(2)9-6-4-3-5-7-9/h4-5,7-8H,6H2,1-3H3;6,8H,3-5,7H2,1-2H3;3,7,9H,4-6H2,1-2H3;4-8H,3H2,1-2H3.

What are the key properties of 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine?

1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 509.87 g/mol, XLogP of 8.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-propan-2-yl-2H-pyridine;1-propan-2-ylcyclohexene;1-propan-2-yl-4H-pyridine;4-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 161331550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).