1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine

C25H55N3 — CID 161212212

IUPAC1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine
SMILESC.CC1CCCCC1.CC1CCCN1.CC1CCCN1C.CC1CCNCC1
InChIInChI=1S/C7H14.2C6H13N.C5H11N.CH4/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;/h7H,2-6H2,1H3;6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;1H4
InChIKeyUWJSNWSSJLFTNN-UHFFFAOYSA-N
MW397.74 g/mol
LogP6.09
Rot. Bonds

About 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine

1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine (PubChem CID 161212212) has the molecular formula C25H55N3 and a molecular weight of 397.74 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine
PubChem CID161212212
Molecular FormulaC25H55N3
Molecular Weight397.74 g/mol
Exact Mass397.44
IUPAC Name1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine
SMILESC.CC1CCCCC1.CC1CCCN1.CC1CCCN1C.CC1CCNCC1
InChIInChI=1S/C7H14.2C6H13N.C5H11N.CH4/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;/h7H,2-6H2,1H3;6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;1H4
InChIKeyUWJSNWSSJLFTNN-UHFFFAOYSA-N
XLogP6.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.74
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
4-(1-Methylpyrrolidin-2-yl)piperidine
CID 66272593
1-Methyl-4-(pyrrolidin-2-yl)piperidine
CID 4566313
1-methyl-4-[(2S)-pyrrolidin-2-yl]piperidine
CID 40466199
N-methyl-1-(2,5,6-trimethyl-1-azabicyclo[2.2.1]heptan-3-yl)methanamine
CID 54284099
1-tert-butyl-N-(cyclohexylmethyl)piperidin-4-amine
CID 54866613
1-(1-Cyclohexyl-3-pyrrolidin-1-ylpropan-2-yl)piperazine
CID 58786634
1-(1-Cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine
CID 58786685
N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62579660
1-Propan-2-yl-4-pyrrolidin-2-ylpiperidine
CID 63259057
1-Cyclohexylpiperazine;2-propan-2-ylpyrrolidine
CID 67269274

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine?
The IUPAC name of 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine (CID 161212212) is 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine.
What is the SMILES notation for 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine?
The canonical SMILES for 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine is C.CC1CCCCC1.CC1CCCN1.CC1CCCN1C.CC1CCNCC1.
What is the InChIKey of 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine?
The InChIKey is UWJSNWSSJLFTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C6H13N.C5H11N.CH4/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;/h7H,2-6H2,1H3;6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;1H4.
What are the key properties of 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine?
1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine has a molecular weight of 397.74 g/mol, XLogP of 6.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine;methane;methylcyclohexane;4-methylpiperidine;2-methylpyrrolidine is sourced from PubChem (CID 161212212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).