1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol

C103H154N8O7 — CID 157306451

About 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol

1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol (PubChem CID 157306451) has the molecular formula C103H154N8O7 and a molecular weight of 1616.41 g/mol. Its IUPAC name is 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol.

Molecular Properties

• Compound Name: 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol
• PubChem CID: 157306451
• Molecular Formula: C103H154N8O7
• Molecular Weight: 1616.41 g/mol
• Exact Mass: 1615.19
• IUPAC Name: 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol
• SMILES: CC.CC(C)(C)C(O)(c1ccccn1)C1CC1.CC(C)(C)C(O)(c1ccccn1)C1CCCC1.CC(C)C(O)(c1ccccn1)c1ccccn1.CCC(C)(c1ccccn1)C(C)(C)C.CCC(C)C(O)(c1ccccn1)C(C)(C)C.CCCCCC(=O)C(O)(C1=CCC=N1)C(C)(C)C.Cc1cccc(C(O)(c2ccccn2)C(C)(C)C)c1
• InChI: InChI=1S/C17H21NO.C15H25NO2.C15H23NO.C14H16N2O.C14H23NO.C13H19NO.C13H21N.C2H6/c1-13-8-7-9-14(12-13)17(19,16(2,3)4)15-10-5-6-11-18-15;1-5-6-7-10-13(17)15(18,14(2,3)4)12-9-8-11-16-12;1-14(2,3)15(17,12-8-4-5-9-12)13-10-6-7-11-16-13;1-11(2)14(17,12-7-3-5-9-15-12)13-8-4-6-10-16-13;1-6-11(2)14(16,13(3,4)5)12-9-7-8-10-15-12;1-12(2,3)13(15,10-7-8-10)11-6-4-5-9-14-11;1-6-13(5,12(2,3)4)11-9-7-8-10-14-11;1-2/h5-12,19H,1-4H3;9,11,18H,5-8,10H2,1-4H3;6-7,10-12,17H,4-5,8-9H2,1-3H3;3-11,17H,1-2H3;7-11,16H,6H2,1-5H3;4-6,9-10,15H,7-8H2,1-3H3;7-10H,6H2,1-5H3;1-2H3
• InChIKey: BCNLJAPFYJHZQM-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 241.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1616.41
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol?

The IUPAC name of 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol (CID 157306451) is 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol.

What is the SMILES notation for 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol?

The canonical SMILES for 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol is CC.CC(C)(C)C(O)(c1ccccn1)C1CC1.CC(C)(C)C(O)(c1ccccn1)C1CCCC1.CC(C)C(O)(c1ccccn1)c1ccccn1.CCC(C)(c1ccccn1)C(C)(C)C.CCC(C)C(O)(c1ccccn1)C(C)(C)C.CCCCCC(=O)C(O)(C1=CCC=N1)C(C)(C)C.Cc1cccc(C(O)(c2ccccn2)C(C)(C)C)c1.

What is the InChIKey of 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol?

The InChIKey is BCNLJAPFYJHZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C15H25NO2.C15H23NO.C14H16N2O.C14H23NO.C13H19NO.C13H21N.C2H6/c1-13-8-7-9-14(12-13)17(19,16(2,3)4)15-10-5-6-11-18-15;1-5-6-7-10-13(17)15(18,14(2,3)4)12-9-8-11-16-12;1-14(2,3)15(17,12-8-4-5-9-12)13-10-6-7-11-16-13;1-11(2)14(17,12-7-3-5-9-15-12)13-8-4-6-10-16-13;1-6-11(2)14(16,13(3,4)5)12-9-7-8-10-15-12;1-12(2,3)13(15,10-7-8-10)11-6-4-5-9-14-11;1-6-13(5,12(2,3)4)11-9-7-8-10-14-11;1-2/h5-12,19H,1-4H3;9,11,18H,5-8,10H2,1-4H3;6-7,10-12,17H,4-5,8-9H2,1-3H3;3-11,17H,1-2H3;7-11,16H,6H2,1-5H3;4-6,9-10,15H,7-8H2,1-3H3;7-10H,6H2,1-5H3;1-2H3.

What are the key properties of 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol?

1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol has a molecular weight of 1616.41 g/mol, XLogP of 23.73, 20 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;1-cyclopropyl-2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol;ethane;3-hydroxy-2,2-dimethyl-3-(3H-pyrrol-5-yl)nonan-4-one;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-(2,2,3-trimethylpentan-3-yl)pyridine;2,2,4-trimethyl-3-pyridin-2-ylhexan-3-ol is sourced from PubChem (CID 157306451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).