methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

C49H108N6 — CID 159917715

IUPACmethane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESC.C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1
InChIInChI=1S/5C8H17N.C7H15N.2CH4/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;;/h5*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyNXZQDKMFZIMCBA-UHFFFAOYSA-N
MW781.45 g/mol
LogP12.17
Rot. Bonds6

About methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (PubChem CID 159917715) has the molecular formula C49H108N6 and a molecular weight of 781.45 g/mol. Its IUPAC name is methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namemethane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
PubChem CID159917715
Molecular FormulaC49H108N6
Molecular Weight781.45 g/mol
Exact Mass780.86
IUPAC Namemethane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESC.C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1
InChIInChI=1S/5C8H17N.C7H15N.2CH4/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;;/h5*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyNXZQDKMFZIMCBA-UHFFFAOYSA-N
XLogP12.17
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.45
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octane
CID 21364713
Bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
Tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157621754
Tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158124161
5-[Diethyl(methyl)azaniumyl]pentyl-diethyl-methylazanium;1,1-diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158261578
1-Ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane
CID 158587608
1,3-Dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine
CID 158593855
1,1-Diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158691923
1,4-Di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158835822
1-Ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane
CID 159492489
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 159653810

Frequently Asked Questions

What is the IUPAC name of methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The IUPAC name of methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (CID 159917715) is methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.
What is the SMILES notation for methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The canonical SMILES for methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is C.C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.
What is the InChIKey of methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The InChIKey is NXZQDKMFZIMCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H17N.C7H15N.2CH4/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;;/h5*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*1H4.
What are the key properties of methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine has a molecular weight of 781.45 g/mol, XLogP of 12.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pentakis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159917715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).