tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane

C101H181N9S2 — CID 159310801

IUPACtert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane
SMILESC.C.C.C.C.C.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncnc1.Cc1cccc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C10H15N.C10H20.C9H14N2.3C9H13N.C8H12N2.C8H13NS.C8H12S.C8H18.C7H14.6CH4/c1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-6-9-7(5-10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6;1-7(2,3)6-4-5-6;;;;;;/h5-7H,1-4H3;9H,4-8H2,1-3H3;5-6H,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;4-6H,1-3H3;1-6H3;6H,4-5H2,1-3H3;6*1H4
InChIKeyLCMZQFGQNDQJSQ-UHFFFAOYSA-N
MW1585.76 g/mol
LogP32.43
Rot. Bonds

About tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane

tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane (PubChem CID 159310801) has the molecular formula C101H181N9S2 and a molecular weight of 1585.76 g/mol. Its IUPAC name is tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Nametert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane
PubChem CID159310801
Molecular FormulaC101H181N9S2
Molecular Weight1585.76 g/mol
Exact Mass1584.39
IUPAC Nametert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane
SMILESC.C.C.C.C.C.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncnc1.Cc1cccc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C10H15N.C10H20.C9H14N2.3C9H13N.C8H12N2.C8H13NS.C8H12S.C8H18.C7H14.6CH4/c1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-6-9-7(5-10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6;1-7(2,3)6-4-5-6;;;;;;/h5-7H,1-4H3;9H,4-8H2,1-3H3;5-6H,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;4-6H,1-3H3;1-6H3;6H,4-5H2,1-3H3;6*1H4
InChIKeyLCMZQFGQNDQJSQ-UHFFFAOYSA-N
XLogP32.43
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.76
LogP ≤ 532.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane with MolForge

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Launch Full Analysis

Related Compounds

2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482687
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522311
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522312
N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155528384
4-[4-Methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 127045591
4-(2-Phenylpyrimidin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 59252432
5-Methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 45167404
2-(4-Butylphenyl)-4-methyl-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 127043104
2-(4-Tert-butylphenyl)-4-methyl-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 135370749
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 145974394
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-4-ylpyrimidin-4-yl)-1,3-thiazole
CID 145977271
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 145978648

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane?
The IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane (CID 159310801) is tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane.
What is the SMILES notation for tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane?
The canonical SMILES for tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane is C.C.C.C.C.C.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncnc1.Cc1cccc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane?
The InChIKey is LCMZQFGQNDQJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C10H20.C9H14N2.3C9H13N.C8H12N2.C8H13NS.C8H12S.C8H18.C7H14.6CH4/c1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-6-9-7(5-10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6;1-7(2,3)6-4-5-6;;;;;;/h5-7H,1-4H3;9H,4-8H2,1-3H3;5-6H,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;4-6H,1-3H3;1-6H3;6H,4-5H2,1-3H3;6*1H4.
What are the key properties of tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane?
tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane has a molecular weight of 1585.76 g/mol, XLogP of 32.43, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;tert-butylcyclopropane;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butylthiophene;methane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 159310801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).