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

C59H124N8 — CID 158830009

IUPAC1,3-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
SMILESCC1CCC(C)CC1.CC1CCCC(C)C1.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)C2.CN1CCN(C)CC1
InChIInChI=1S/C10H20N2.2C8H16.3C7H15N.C6H14N2.C6H13N/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h3-9H2,1-2H3;2*7-8H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyIWXQWRQOFDEZNR-UHFFFAOYSA-N
MW945.70 g/mol
LogP11.56
Rot. Bonds

About 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

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 (PubChem CID 158830009) has the molecular formula C59H124N8 and a molecular weight of 945.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID158830009
Molecular FormulaC59H124N8
Molecular Weight945.70 g/mol
Exact Mass944.99
IUPAC Name1,3-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
SMILESCC1CCC(C)CC1.CC1CCCC(C)C1.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)C2.CN1CCN(C)CC1
InChIInChI=1S/C10H20N2.2C8H16.3C7H15N.C6H14N2.C6H13N/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h3-9H2,1-2H3;2*7-8H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyIWXQWRQOFDEZNR-UHFFFAOYSA-N
XLogP11.56
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.70
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1,4-Dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
CID 158606116
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
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
2,3-Diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)
CID 161264037
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
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 161899650
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC(C)CC1.CC1CCCC(C)C1.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)C2.CN1CCN(C)CC1.
What is the InChIKey of 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?
The InChIKey is IWXQWRQOFDEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2C8H16.3C7H15N.C6H14N2.C6H13N/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h3-9H2,1-2H3;2*7-8H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 945.70 g/mol, XLogP of 11.56, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158830009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).