2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine

C139H230N20O3S — CID 157176506

IUPAC2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine
SMILESC.C.C.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccc(C(C)(C)S(C)(=O)=O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)N2CCCC2)nc1.CC(C)c1ccc(C(C)N2CCCCC2)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(N(C)C2CCN(C)C2)nc1.CC(C)c1ccc(N(C)CCN(C)C)nc1.CC(C)c1ccc(N(C)CCO)nc1.CC(C)c1ccc(NC2CCCC2)nc1.CCc1nc(C)ccc1C(C)C
InChIInChI=1S/C15H24N2.C14H23N3.C14H22N2.C13H23N3.C13H20N2.C12H19NO2S.C12H19N.C11H18N2O.2C11H17N.C10H16N2.3CH4/c1-12(2)14-7-8-15(16-11-14)13(3)17-9-5-4-6-10-17;1-11(2)12-5-6-14(15-9-12)17(4)13-7-8-16(3)10-13;1-11(2)13-6-7-14(15-10-13)12(3)16-8-4-5-9-16;1-11(2)12-6-7-13(14-10-12)16(5)9-8-15(3)4;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)10-6-7-11(13-8-10)12(3,4)16(5,14)15;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-9(2)10-4-5-11(12-8-10)13(3)6-7-14;1-8(2)10-5-6-11(9(3)4)12-7-10;1-5-11-10(8(2)3)7-6-9(4)12-11;1-8(2)9-5-6-10(11-7-9)12(3)4;;;/h7-8,11-13H,4-6,9-10H2,1-3H3;5-6,9,11,13H,7-8,10H2,1-4H3;6-7,10-12H,4-5,8-9H2,1-3H3;6-7,10-11H,8-9H2,1-5H3;7-10,12H,3-6H2,1-2H3,(H,14,15);6-9H,1-5H3;6-9H,1-5H3;4-5,8-9,14H,6-7H2,1-3H3;5-9H,1-4H3;6-8H,5H2,1-4H3;5-8H,1-4H3;3*1H4
InChIKeyAOBKLNGPPZQZOQ-UHFFFAOYSA-N
MW2261.57 g/mol
LogP33.43
Rot. Bonds31

About 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine

2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 157176506) has the molecular formula C139H230N20O3S and a molecular weight of 2261.57 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine
PubChem CID157176506
Molecular FormulaC139H230N20O3S
Molecular Weight2261.57 g/mol
Exact Mass2259.82
IUPAC Name2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine
SMILESC.C.C.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccc(C(C)(C)S(C)(=O)=O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)N2CCCC2)nc1.CC(C)c1ccc(C(C)N2CCCCC2)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(N(C)C2CCN(C)C2)nc1.CC(C)c1ccc(N(C)CCN(C)C)nc1.CC(C)c1ccc(N(C)CCO)nc1.CC(C)c1ccc(NC2CCCC2)nc1.CCc1nc(C)ccc1C(C)C
InChIInChI=1S/C15H24N2.C14H23N3.C14H22N2.C13H23N3.C13H20N2.C12H19NO2S.C12H19N.C11H18N2O.2C11H17N.C10H16N2.3CH4/c1-12(2)14-7-8-15(16-11-14)13(3)17-9-5-4-6-10-17;1-11(2)12-5-6-14(15-9-12)17(4)13-7-8-16(3)10-13;1-11(2)13-6-7-14(15-10-13)12(3)16-8-4-5-9-16;1-11(2)12-6-7-13(14-10-12)16(5)9-8-15(3)4;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)10-6-7-11(13-8-10)12(3,4)16(5,14)15;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-9(2)10-4-5-11(12-8-10)13(3)6-7-14;1-8(2)10-5-6-11(9(3)4)12-7-10;1-5-11-10(8(2)3)7-6-9(4)12-11;1-8(2)9-5-6-10(11-7-9)12(3)4;;;/h7-8,11-13H,4-6,9-10H2,1-3H3;5-6,9,11,13H,7-8,10H2,1-4H3;6-7,10-12H,4-5,8-9H2,1-3H3;6-7,10-11H,8-9H2,1-5H3;7-10,12H,3-6H2,1-2H3,(H,14,15);6-9H,1-5H3;6-9H,1-5H3;4-5,8-9,14H,6-7H2,1-3H3;5-9H,1-4H3;6-8H,5H2,1-4H3;5-8H,1-4H3;3*1H4
InChIKeyAOBKLNGPPZQZOQ-UHFFFAOYSA-N
XLogP33.43
TPSA234.11 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002261.57
LogP ≤ 533.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine 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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine (CID 157176506) is 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine is C.C.C.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccc(C(C)(C)S(C)(=O)=O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)N2CCCC2)nc1.CC(C)c1ccc(C(C)N2CCCCC2)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(N(C)C2CCN(C)C2)nc1.CC(C)c1ccc(N(C)CCN(C)C)nc1.CC(C)c1ccc(N(C)CCO)nc1.CC(C)c1ccc(NC2CCCC2)nc1.CCc1nc(C)ccc1C(C)C.
What is the InChIKey of 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is AOBKLNGPPZQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C14H23N3.C14H22N2.C13H23N3.C13H20N2.C12H19NO2S.C12H19N.C11H18N2O.2C11H17N.C10H16N2.3CH4/c1-12(2)14-7-8-15(16-11-14)13(3)17-9-5-4-6-10-17;1-11(2)12-5-6-14(15-9-12)17(4)13-7-8-16(3)10-13;1-11(2)13-6-7-14(15-10-13)12(3)16-8-4-5-9-16;1-11(2)12-6-7-13(14-10-12)16(5)9-8-15(3)4;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)10-6-7-11(13-8-10)12(3,4)16(5,14)15;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-9(2)10-4-5-11(12-8-10)13(3)6-7-14;1-8(2)10-5-6-11(9(3)4)12-7-10;1-5-11-10(8(2)3)7-6-9(4)12-11;1-8(2)9-5-6-10(11-7-9)12(3)4;;;/h7-8,11-13H,4-6,9-10H2,1-3H3;5-6,9,11,13H,7-8,10H2,1-4H3;6-7,10-12H,4-5,8-9H2,1-3H3;6-7,10-11H,8-9H2,1-5H3;7-10,12H,3-6H2,1-2H3,(H,14,15);6-9H,1-5H3;6-9H,1-5H3;4-5,8-9,14H,6-7H2,1-3H3;5-9H,1-4H3;6-8H,5H2,1-4H3;5-8H,1-4H3;3*1H4.
What are the key properties of 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine?
2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 2261.57 g/mol, XLogP of 33.43, 31 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 157176506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).