methane;tris(1-methylpiperidine);1-methylpyrrolidine

C25H58N4 — CID 158290287

IUPACmethane;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.C5H11N.2CH4/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;/h3*2-6H2,1H3;2-5H2,1H3;2*1H4
InChIKeyGLGOHQKKQDBDTO-UHFFFAOYSA-N
MW414.77 g/mol
LogP5.29
Rot. Bonds

About methane;tris(1-methylpiperidine);1-methylpyrrolidine

methane;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 158290287) has the molecular formula C25H58N4 and a molecular weight of 414.77 g/mol. Its IUPAC name is methane;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID158290287
Molecular FormulaC25H58N4
Molecular Weight414.77 g/mol
Exact Mass414.47
IUPAC Namemethane;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.C5H11N.2CH4/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;/h3*2-6H2,1H3;2-5H2,1H3;2*1H4
InChIKeyGLGOHQKKQDBDTO-UHFFFAOYSA-N
XLogP5.29
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.77
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;tris(1-methylpiperidine);1-methylpyrrolidine (CID 158290287) is methane;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;tris(1-methylpiperidine);1-methylpyrrolidine is C.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of methane;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is GLGOHQKKQDBDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13N.C5H11N.2CH4/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;/h3*2-6H2,1H3;2-5H2,1H3;2*1H4.
What are the key properties of methane;tris(1-methylpiperidine);1-methylpyrrolidine?
methane;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 414.77 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 158290287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).