2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine

C178H313N17O3S — CID 159171059

IUPAC2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine
SMILESC.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1ccccn1.CCCc1ccccn1.CCc1ccccn1.CN(C)c1ccccn1.CN1CCN(c2ccccn2)CC1.CS(=O)(=O)Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.c1ccc(CC2CCCCC2)nc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17N.C11H15N.C10H15N3.2C10H14N2.C9H13N.C8H11N.C8H8O.C7H10N2.C7H9NO2S.C7H9N.2C6H7N.13C5H12.2CH4/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;2*1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-8(2)7-9-5-3-4-6-10-9;1-2-5-8-6-3-4-7-9-8;1-2-4-8-7(3-1)5-6-9-8;1-9(2)7-5-3-4-6-8-7;1-11(9,10)6-7-4-2-3-5-8-7;1-2-7-5-3-4-6-8-7;2*1-6-4-2-3-5-7-6;13*1-5(2,3)4;;/h4-5,8-9,11H,1-3,6-7,10H2;1,3-4,7-8H,2,5-6,9-10H2;2-5H,6-9H2,1H3;2*2-3,6-7H,1,4-5,8-9H2;3-6,8H,7H2,1-2H3;3-4,6-7H,2,5H2,1H3;1-4H,5-6H2;3-6H,1-2H3;2-5H,6H2,1H3;3-6H,2H2,1H3;2*2-5H,1H3;13*1-4H3;2*1H4
InChIKeyKLRRWJJGZRPSFZ-UHFFFAOYSA-N
MW2771.64 g/mol
LogP50.95
Rot. Bonds14

About 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine

2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine (PubChem CID 159171059) has the molecular formula C178H313N17O3S and a molecular weight of 2771.64 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine
PubChem CID159171059
Molecular FormulaC178H313N17O3S
Molecular Weight2771.64 g/mol
Exact Mass2769.46
IUPAC Name2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine
SMILESC.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1ccccn1.CCCc1ccccn1.CCc1ccccn1.CN(C)c1ccccn1.CN1CCN(c2ccccn2)CC1.CS(=O)(=O)Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.c1ccc(CC2CCCCC2)nc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17N.C11H15N.C10H15N3.2C10H14N2.C9H13N.C8H11N.C8H8O.C7H10N2.C7H9NO2S.C7H9N.2C6H7N.13C5H12.2CH4/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;2*1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-8(2)7-9-5-3-4-6-10-9;1-2-5-8-6-3-4-7-9-8;1-2-4-8-7(3-1)5-6-9-8;1-9(2)7-5-3-4-6-8-7;1-11(9,10)6-7-4-2-3-5-8-7;1-2-7-5-3-4-6-8-7;2*1-6-4-2-3-5-7-6;13*1-5(2,3)4;;/h4-5,8-9,11H,1-3,6-7,10H2;1,3-4,7-8H,2,5-6,9-10H2;2-5H,6-9H2,1H3;2*2-3,6-7H,1,4-5,8-9H2;3-6,8H,7H2,1-2H3;3-4,6-7H,2,5H2,1H3;1-4H,5-6H2;3-6H,1-2H3;2-5H,6H2,1H3;3-6H,2H2,1H3;2*2-5H,1H3;13*1-4H3;2*1H4
InChIKeyKLRRWJJGZRPSFZ-UHFFFAOYSA-N
XLogP50.95
TPSA204.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002771.64
LogP ≤ 550.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yloxy-1-[2-[4-(pyridin-2-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine
CID 147652658
[6-[4-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-methyl-methylimino-oxo-lambda6-sulfane;[6-[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-methyl-methylimino-oxo-lambda6-sulfane
CID 158044125
4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2-ethylpyridine;4-tert-butyl-2-(2-methylpropyl)pyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-(methylsulfonylmethyl)pyridine;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)piperidine;bis(4-tert-butyl-2-piperidin-1-ylpyridine);4-tert-butyl-2-propylpyridine;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-tert-butylquinoline
CID 158085395
2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine
CID 158140181
5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
CID 158326558
5-tert-butyl-2-(2-methoxyethoxy)pyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 159237123
6-propan-2-yloxy-1-[2-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine
CID 159328296
6-propan-2-yloxy-1-[2-[4-(pyridin-4-ylmethylsulfonyl)piperazin-1-yl]-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine
CID 159729726
4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2-ethylpyridine;4-tert-butyl-2-(2-methylpropyl)pyridine;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-2-(methylsulfonylmethyl)pyridine;1-(3-tert-butylphenyl)piperidine;bis(4-tert-butyl-2-piperidin-1-ylpyridine);4-tert-butyl-2-propylpyridine;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;methane
CID 160847560
1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline
CID 161205079
4-cyclohexyl-2-(4-cyclohexyl-6-methyl-2-pyridinyl)-6-methylpyridine;2-methyl-6-[(6-methyl-2-pyridinyl)methyl]pyridine;2-methyl-6-[(6-methyl-2-pyridinyl)oxy]pyridine;2-methyl-6-[2-(6-methyl-2-pyridinyl)propan-2-yl]pyridine;N-phenyl-N-pyridin-2-ylpyridin-2-amine;2-propan-2-yl-6-[2-(6-propan-2-yl-2-pyridinyl)propan-2-yl]pyridine
CID 161345564
2-benzyl-4-tert-butylpyridine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-(2,2-dimethylpropyl)pyridine;4-tert-butyl-1H-indene;4-tert-butyl-2-(2-methylpropyl)pyridine;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)piperidine;4-tert-butyl-2-piperidin-1-ylpyridine;4-tert-butyl-2-propylpyridine;2,4-ditert-butylpyridine
CID 161529607

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine?
The IUPAC name of 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine (CID 159171059) is 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine.
What is the SMILES notation for 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine?
The canonical SMILES for 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine is C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1ccccn1.CCCc1ccccn1.CCc1ccccn1.CN(C)c1ccccn1.CN1CCN(c2ccccn2)CC1.CS(=O)(=O)Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.c1ccc(CC2CCCCC2)nc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine?
The InChIKey is KLRRWJJGZRPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H15N.C10H15N3.2C10H14N2.C9H13N.C8H11N.C8H8O.C7H10N2.C7H9NO2S.C7H9N.2C6H7N.13C5H12.2CH4/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;2*1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-8(2)7-9-5-3-4-6-10-9;1-2-5-8-6-3-4-7-9-8;1-2-4-8-7(3-1)5-6-9-8;1-9(2)7-5-3-4-6-8-7;1-11(9,10)6-7-4-2-3-5-8-7;1-2-7-5-3-4-6-8-7;2*1-6-4-2-3-5-7-6;13*1-5(2,3)4;;/h4-5,8-9,11H,1-3,6-7,10H2;1,3-4,7-8H,2,5-6,9-10H2;2-5H,6-9H2,1H3;2*2-3,6-7H,1,4-5,8-9H2;3-6,8H,7H2,1-2H3;3-4,6-7H,2,5H2,1H3;1-4H,5-6H2;3-6H,1-2H3;2-5H,6H2,1H3;3-6H,2H2,1H3;2*2-5H,1H3;13*1-4H3;2*1H4.
What are the key properties of 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine?
2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine has a molecular weight of 2771.64 g/mol, XLogP of 50.95, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;tridecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;2-ethylpyridine;methane;2-(2-methylpropyl)pyridine;bis(2-methylpyridine);1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine is sourced from PubChem (CID 159171059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).