methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine

C37H82N6 — CID 158388215

IUPACmethane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.4C6H13N.C5H11N.CH4/c1-8-6-4-2-3-5-7-8;4*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h2-7H2,1H3;4*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyGWPUDVXHSMATKI-UHFFFAOYSA-N
MW611.11 g/mol
LogP7.25
Rot. Bonds

About methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine

methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 158388215) has the molecular formula C37H82N6 and a molecular weight of 611.11 g/mol. Its IUPAC name is methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID158388215
Molecular FormulaC37H82N6
Molecular Weight611.11 g/mol
Exact Mass610.66
IUPAC Namemethane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.4C6H13N.C5H11N.CH4/c1-8-6-4-2-3-5-7-8;4*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h2-7H2,1H3;4*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyGWPUDVXHSMATKI-UHFFFAOYSA-N
XLogP7.25
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.11
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methylazepane;tris(1-methylpiperidine)
CID 123602809
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
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
N-ethyl-N-methylethanamine;N-methanidyl-N-methylethanamine;N-methanidyl-N-methylpropan-1-amine;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine;tris(yttrium)
CID 158691210
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
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 158830181
1-Methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159398994
Tetrakis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 159892497
1-Methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine
CID 159900388
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 160736129
1-Methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 160739172

Frequently Asked Questions

What is the IUPAC name of methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine (CID 158388215) is methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine is C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is GWPUDVXHSMATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.4C6H13N.C5H11N.CH4/c1-8-6-4-2-3-5-7-8;4*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h2-7H2,1H3;4*2-6H2,1H3;2-5H2,1H3;1H4.
What are the key properties of methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine?
methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 611.11 g/mol, XLogP of 7.25, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 158388215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).