2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane

C81H169N7 — CID 162045075

IUPAC2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
SMILESCC(C)C(C)(C)C1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1
InChIInChI=1S/C12H24.C10H22N2.4C10H21N.C10H20.C9H19N/c1-10(2)12(3,4)11-8-6-5-7-9-11;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)8-10-4-6-11(3)7-5-10;3*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)5-8-10-6-3-4-7-10/h10-11H,5-9H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;3*10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3
InChIKeyYXTXTQCDISLWCO-UHFFFAOYSA-N
MW1241.29 g/mol
LogP21.20
Rot. Bonds21

About 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane

2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane (PubChem CID 162045075) has the molecular formula C81H169N7 and a molecular weight of 1241.29 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
PubChem CID162045075
Molecular FormulaC81H169N7
Molecular Weight1241.29 g/mol
Exact Mass1240.34
IUPAC Name2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
SMILESCC(C)C(C)(C)C1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1
InChIInChI=1S/C12H24.C10H22N2.4C10H21N.C10H20.C9H19N/c1-10(2)12(3,4)11-8-6-5-7-9-11;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)8-10-4-6-11(3)7-5-10;3*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)5-8-10-6-3-4-7-10/h10-11H,5-9H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;3*10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3
InChIKeyYXTXTQCDISLWCO-UHFFFAOYSA-N
XLogP21.20
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.29
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane with MolForge

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Related Compounds

1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
1-Methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
CID 135279336
2-[2-(1,4-Diazabicyclo[2.2.2]octan-2-yl)-1-methylcyclohexyl]-1,4-diazabicyclo[2.2.2]octane
CID 140412584
3-Tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 146548378
1,4-Bis(2,3,3-trimethylbutan-2-yl)piperazine;bis(1,3-bis(2,3,3-trimethylbutan-2-yl)piperidine);bis(1,4-bis(2,3,3-trimethylbutan-2-yl)piperidine);methane
CID 158217418
1,4-Dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
CID 158606116
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
CID 158654218
1,3-Dimethylcyclohexane;1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;1,3-dimethylpiperidine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrrolidine
CID 158830009
Tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)
CID 159030381
3,9-Dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane
CID 159107332
4-(Cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane
CID 159159825
4-(2,3-Dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
CID 159525267

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
The IUPAC name of 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane (CID 162045075) is 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane.
What is the SMILES notation for 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
The canonical SMILES for 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane is CC(C)C(C)(C)C1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.
What is the InChIKey of 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
The InChIKey is YXTXTQCDISLWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C10H22N2.4C10H21N.C10H20.C9H19N/c1-10(2)12(3,4)11-8-6-5-7-9-11;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)8-10-4-6-11(3)7-5-10;3*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)5-8-10-6-3-4-7-10/h10-11H,5-9H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;3*10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3.
What are the key properties of 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane has a molecular weight of 1241.29 g/mol, XLogP of 21.20, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-ylcyclohexane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane is sourced from PubChem (CID 162045075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).