tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane

C197H428N20 — CID 159046914

IUPACtert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane
SMILESC.C.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC1CC(C)(C)C.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/3C11H24N2.7C11H23N.7C10H21N.C10H20.7CH4/c3*1-11(2,3)5-6-13-9-7-12(4)8-10-13;3*1-11(2,3)9-10-5-7-12(4)8-6-10;3*1-11(2,3)8-10-6-5-7-12(4)9-10;1-11(2,3)7-10-12-8-5-4-6-9-12;2*1-10(2,3)9-5-7-11(4)8-6-9;3*1-10(2,3)7-9-5-6-11(4)8-9;1-10(2,3)8-9-6-5-7-11(9)4;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)9-7-5-4-6-8-9;;;;;;;/h3*5-10H2,1-4H3;6*10H,5-9H2,1-4H3;4-10H2,1-3H3;6*9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;7*1H4
InChIKeyJWTSKWTXFNYNPY-UHFFFAOYSA-N
MW3077.73 g/mol
LogP49.48
Rot. Bonds20

About tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane

tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane (PubChem CID 159046914) has the molecular formula C197H428N20 and a molecular weight of 3077.73 g/mol. Its IUPAC name is tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane.

Molecular Properties

Compound Nametert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane
PubChem CID159046914
Molecular FormulaC197H428N20
Molecular Weight3077.73 g/mol
Exact Mass3075.41
IUPAC Nametert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane
SMILESC.C.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC1CC(C)(C)C.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/3C11H24N2.7C11H23N.7C10H21N.C10H20.7CH4/c3*1-11(2,3)5-6-13-9-7-12(4)8-10-13;3*1-11(2,3)9-10-5-7-12(4)8-6-10;3*1-11(2,3)8-10-6-5-7-12(4)9-10;1-11(2,3)7-10-12-8-5-4-6-9-12;2*1-10(2,3)9-5-7-11(4)8-6-9;3*1-10(2,3)7-9-5-6-11(4)8-9;1-10(2,3)8-9-6-5-7-11(9)4;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)9-7-5-4-6-8-9;;;;;;;/h3*5-10H2,1-4H3;6*10H,5-9H2,1-4H3;4-10H2,1-3H3;6*9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;7*1H4
InChIKeyJWTSKWTXFNYNPY-UHFFFAOYSA-N
XLogP49.48
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003077.73
LogP ≤ 549.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane?
The IUPAC name of tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane (CID 159046914) is tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane.
What is the SMILES notation for tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane?
The canonical SMILES for tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane is C.C.C.C.C.C.C.CC(C)(C)C1CCCCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)C1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC(CC(C)(C)C)C1.CN1CCCC1CC(C)(C)C.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane?
The InChIKey is JWTSKWTXFNYNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H24N2.7C11H23N.7C10H21N.C10H20.7CH4/c3*1-11(2,3)5-6-13-9-7-12(4)8-10-13;3*1-11(2,3)9-10-5-7-12(4)8-6-10;3*1-11(2,3)8-10-6-5-7-12(4)9-10;1-11(2,3)7-10-12-8-5-4-6-9-12;2*1-10(2,3)9-5-7-11(4)8-6-9;3*1-10(2,3)7-9-5-6-11(4)8-9;1-10(2,3)8-9-6-5-7-11(9)4;1-10(2,3)6-9-11-7-4-5-8-11;1-10(2,3)9-7-5-4-6-8-9;;;;;;;/h3*5-10H2,1-4H3;6*10H,5-9H2,1-4H3;4-10H2,1-3H3;6*9H,5-8H2,1-4H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;7*1H4.
What are the key properties of tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane?
tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane has a molecular weight of 3077.73 g/mol, XLogP of 49.48, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane is sourced from PubChem (CID 159046914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).