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

C38H90N6 — CID 160736129

IUPACmethane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.C.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N.C5H11N.C4H9N.4CH4/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;;;;/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;4*1H4
InChIKeyRUYWYRKUCUYCAL-UHFFFAOYSA-N
MW631.18 g/mol
LogP8.38
Rot. Bonds

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

methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 160736129) has the molecular formula C38H90N6 and a molecular weight of 631.18 g/mol. Its IUPAC name is methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID160736129
Molecular FormulaC38H90N6
Molecular Weight631.18 g/mol
Exact Mass630.72
IUPAC Namemethane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.C.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N.C5H11N.C4H9N.4CH4/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;;;;/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;4*1H4
InChIKeyRUYWYRKUCUYCAL-UHFFFAOYSA-N
XLogP8.38
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.18
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methylazepane;tris(1-methylpiperidine)
CID 123602809
4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane
CID 130220259
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
Methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 158388215
N-ethyl-N-methylethanamine;N-methanidyl-N-methylethanamine;N-methanidyl-N-methylpropan-1-amine;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine;tris(yttrium)
CID 158691210
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 158830181
1-(2-Methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158830501
1-Methylazepane;1-methylazetidine;bis(1-methylpiperidine)
CID 159209964
1-Methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159398994
1-Methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine
CID 159900388
Methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 159928621
1-Methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 160739172

Frequently Asked Questions

What is the IUPAC name of methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine (CID 160736129) is methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine is C.C.C.C.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is RUYWYRKUCUYCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.3C6H13N.C5H11N.C4H9N.4CH4/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;;;;/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;4*1H4.
What are the key properties of methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 631.18 g/mol, XLogP of 8.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 160736129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).