1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

C38H80N6 — CID 158606116

IUPAC1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)C2.CN1CCN(C)CC1
InChIInChI=1S/C10H20N2.C8H16.2C7H15N.C6H14N2/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;4*1-7-3-5-8(2)6-4-7/h3-9H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyHWGAMWLOHLPLNM-UHFFFAOYSA-N
MW621.10 g/mol
LogP6.43
Rot. Bonds

About 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (PubChem CID 158606116) has the molecular formula C38H80N6 and a molecular weight of 621.10 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).

Molecular Properties

Compound Name1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
PubChem CID158606116
Molecular FormulaC38H80N6
Molecular Weight621.10 g/mol
Exact Mass620.64
IUPAC Name1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)C2.CN1CCN(C)CC1
InChIInChI=1S/C10H20N2.C8H16.2C7H15N.C6H14N2/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;4*1-7-3-5-8(2)6-4-7/h3-9H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyHWGAMWLOHLPLNM-UHFFFAOYSA-N
XLogP6.43
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.10
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) with MolForge

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Launch Full Analysis

Related Compounds

2-(1-Azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane
CID 19381114
1-Tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane
CID 157932353
1-Tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine
CID 158225974
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
1-Tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;methane
CID 159091322
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
1-Tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160415108
1-Tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
1-Ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium;1-ethyl-1-[[4-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]cyclohexyl]methyl]pyrrolidin-1-ium;1-methyl-1-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium
CID 161164935
1-Tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane;methane
CID 161210846
2,3-Dimethylbutan-2-ylcyclohexane;methane;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
CID 161582610

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The IUPAC name of 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (CID 158606116) is 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).
What is the SMILES notation for 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The canonical SMILES for 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)C2.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The InChIKey is HWGAMWLOHLPLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C8H16.2C7H15N.C6H14N2/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;4*1-7-3-5-8(2)6-4-7/h3-9H2,1-2H3;7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) has a molecular weight of 621.10 g/mol, XLogP of 6.43, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is sourced from PubChem (CID 158606116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).