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

C165H261N17O3S — CID 160847560

IUPAC4-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
SMILESC.C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CC(C)(C)c1ccnc(CS(C)(=O)=O)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)Cc1cc(C(C)(C)C)ccn1.CCCc1cc(C(C)(C)C)ccn1.CCc1cc(C(C)(C)C)ccn1.CN(C)c1cc(C(C)(C)C)ccn1.CN1CCN(c2cc(C(C)(C)C)ccn2)CC1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C16H25N.C15H23N.C14H23N3.2C14H22N2.C13H21N.C12H19N.C12H16O.C11H18N2.C11H17NO2S.C11H17N.2C10H15N.2CH4/c1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-14(2,3)12-5-6-15-13(11-12)17-9-7-16(4)8-10-17;2*1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16;1-10(2)8-12-9-11(6-7-14-12)13(3,4)5;1-5-6-11-9-10(7-8-13-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-6-7-12-10(8-9)13(4)5;1-11(2,3)9-5-6-12-10(7-9)8-15(4,13)14;1-5-10-8-9(6-7-12-10)11(2,3)4;2*1-8-7-9(5-6-11-8)10(2,3)4;;/h9-10,12-13H,4-8,11H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;5-6,11H,7-10H2,1-4H3;2*7-8,11H,4-6,9-10H2,1-3H3;6-7,9-10H,8H2,1-5H3;7-9H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;5-7H,8H2,1-4H3;6-8H,5H2,1-4H3;2*5-7H,1-4H3;2*1H4
InChIKeySIVNGULTQPYPJA-UHFFFAOYSA-N
MW2563.09 g/mol
LogP41.13
Rot. Bonds14

About 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

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 (PubChem CID 160847560) has the molecular formula C165H261N17O3S and a molecular weight of 2563.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160847560
Molecular FormulaC165H261N17O3S
Molecular Weight2563.09 g/mol
Exact Mass2561.05
IUPAC Name4-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
SMILESC.C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CC(C)(C)c1ccnc(CS(C)(=O)=O)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)Cc1cc(C(C)(C)C)ccn1.CCCc1cc(C(C)(C)C)ccn1.CCc1cc(C(C)(C)C)ccn1.CN(C)c1cc(C(C)(C)C)ccn1.CN1CCN(c2cc(C(C)(C)C)ccn2)CC1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C16H25N.C15H23N.C14H23N3.2C14H22N2.C13H21N.C12H19N.C12H16O.C11H18N2.C11H17NO2S.C11H17N.2C10H15N.2CH4/c1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-14(2,3)12-5-6-15-13(11-12)17-9-7-16(4)8-10-17;2*1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16;1-10(2)8-12-9-11(6-7-14-12)13(3,4)5;1-5-6-11-9-10(7-8-13-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-6-7-12-10(8-9)13(4)5;1-11(2,3)9-5-6-12-10(7-9)8-15(4,13)14;1-5-10-8-9(6-7-12-10)11(2,3)4;2*1-8-7-9(5-6-11-8)10(2,3)4;;/h9-10,12-13H,4-8,11H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;5-6,11H,7-10H2,1-4H3;2*7-8,11H,4-6,9-10H2,1-3H3;6-7,9-10H,8H2,1-5H3;7-9H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;5-7H,8H2,1-4H3;6-8H,5H2,1-4H3;2*5-7H,1-4H3;2*1H4
InChIKeySIVNGULTQPYPJA-UHFFFAOYSA-N
XLogP41.13
TPSA204.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.09
LogP ≤ 541.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CC(C)(C)c1ccnc(CS(C)(=O)=O)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)Cc1cc(C(C)(C)C)ccn1.CCCc1cc(C(C)(C)C)ccn1.CCc1cc(C(C)(C)C)ccn1.CN(C)c1cc(C(C)(C)C)ccn1.CN1CCN(c2cc(C(C)(C)C)ccn2)CC1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 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?
The InChIKey is SIVNGULTQPYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C15H23N.C14H23N3.2C14H22N2.C13H21N.C12H19N.C12H16O.C11H18N2.C11H17NO2S.C11H17N.2C10H15N.2CH4/c1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-14(2,3)12-5-6-15-13(11-12)17-9-7-16(4)8-10-17;2*1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16;1-10(2)8-12-9-11(6-7-14-12)13(3,4)5;1-5-6-11-9-10(7-8-13-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-6-7-12-10(8-9)13(4)5;1-11(2,3)9-5-6-12-10(7-9)8-15(4,13)14;1-5-10-8-9(6-7-12-10)11(2,3)4;2*1-8-7-9(5-6-11-8)10(2,3)4;;/h9-10,12-13H,4-8,11H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;5-6,11H,7-10H2,1-4H3;2*7-8,11H,4-6,9-10H2,1-3H3;6-7,9-10H,8H2,1-5H3;7-9H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;5-7H,8H2,1-4H3;6-8H,5H2,1-4H3;2*5-7H,1-4H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 2563.09 g/mol, XLogP of 41.13, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160847560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).