methane;tris(1-methylpiperidine)

C20H47N3 — CID 162076357

IUPACmethane;tris(1-methylpiperidine)
SMILESC.C.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.2CH4/c3*1-7-5-3-2-4-6-7;;/h3*2-6H2,1H3;2*1H4
InChIKeyZBTHFRFTFCISMY-UHFFFAOYSA-N
MW329.62 g/mol
LogP4.58
Rot. Bonds

About methane;tris(1-methylpiperidine)

methane;tris(1-methylpiperidine) (PubChem CID 162076357) has the molecular formula C20H47N3 and a molecular weight of 329.62 g/mol. Its IUPAC name is methane;tris(1-methylpiperidine).

Molecular Properties

Compound Namemethane;tris(1-methylpiperidine)
PubChem CID162076357
Molecular FormulaC20H47N3
Molecular Weight329.62 g/mol
Exact Mass329.38
IUPAC Namemethane;tris(1-methylpiperidine)
SMILESC.C.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.2CH4/c3*1-7-5-3-2-4-6-7;;/h3*2-6H2,1H3;2*1H4
InChIKeyZBTHFRFTFCISMY-UHFFFAOYSA-N
XLogP4.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
azane;ethane;methane;1-methylpiperidine
CID 159571038
CID 68772535
CID 68772535
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
methanamine;1-methylazepane
CID 142229560
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096

Frequently Asked Questions

What is the IUPAC name of methane;tris(1-methylpiperidine)?
The IUPAC name of methane;tris(1-methylpiperidine) (CID 162076357) is methane;tris(1-methylpiperidine).
What is the SMILES notation for methane;tris(1-methylpiperidine)?
The canonical SMILES for methane;tris(1-methylpiperidine) is C.C.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of methane;tris(1-methylpiperidine)?
The InChIKey is ZBTHFRFTFCISMY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13N.2CH4/c3*1-7-5-3-2-4-6-7;;/h3*2-6H2,1H3;2*1H4.
What are the key properties of methane;tris(1-methylpiperidine)?
methane;tris(1-methylpiperidine) has a molecular weight of 329.62 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tris(1-methylpiperidine) is sourced from PubChem (CID 162076357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).