methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine

C24H51N3 — CID 158500859

IUPACmethylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCC1CCCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H14.2C6H13N.C5H11N/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h7H,2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3
InChIKeyHJWJUGSOMCXMLD-UHFFFAOYSA-N
MW381.69 g/mol
LogP5.50
Rot. Bonds

About methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine

methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 158500859) has the molecular formula C24H51N3 and a molecular weight of 381.69 g/mol. Its IUPAC name is methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID158500859
Molecular FormulaC24H51N3
Molecular Weight381.69 g/mol
Exact Mass381.41
IUPAC Namemethylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCC1CCCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H14.2C6H13N.C5H11N/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h7H,2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3
InChIKeyHJWJUGSOMCXMLD-UHFFFAOYSA-N
XLogP5.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentane;ethane;methylcyclohexane;1-methylpiperidine
CID 167573510
1,4-dimethyl-azacycloundecane
CID 89347639
methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine
CID 159749342
1-methylpiperidine
CID 90254979
cyclohexane;methylcyclopentane
CID 20788572
1-methylpiperidine
CID 160757527
1,6-dimethylcycloundecane
CID 91298161
1,5,8,11-tetramethyl-1,5-diazacyclotridecane
CID 10610105
1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)
CID 160949305
methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine
CID 157352684
ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide
CID 143646922
3-methyloxane;1-methylpiperidine
CID 142590694

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine (CID 158500859) is methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine is CC1CCCCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is HJWJUGSOMCXMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C6H13N.C5H11N/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h7H,2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3.
What are the key properties of methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine?
methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 381.69 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 158500859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).