methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine

C34H70N2O2 — CID 161332742

IUPACmethylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine
SMILESCC1CCC1.CC1CCCCC1.CC1CCCOC1.CC1CCNC1.CC1CCNCC1.CC1CCOC1
InChIInChI=1S/C7H14.C6H13N.C6H12O.C5H11N.C5H10O.C5H10/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;2*1-5-2-3-6-4-5;1-5-3-2-4-5/h7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;5H,2-4H2,1H3
InChIKeyVLQFFYHPEJXDBJ-UHFFFAOYSA-N
MW538.95 g/mol
LogP8.49
Rot. Bonds

About methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine

methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine (PubChem CID 161332742) has the molecular formula C34H70N2O2 and a molecular weight of 538.95 g/mol. Its IUPAC name is methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine.

Molecular Properties

Compound Namemethylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine
PubChem CID161332742
Molecular FormulaC34H70N2O2
Molecular Weight538.95 g/mol
Exact Mass538.54
IUPAC Namemethylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine
SMILESCC1CCC1.CC1CCCCC1.CC1CCCOC1.CC1CCNC1.CC1CCNCC1.CC1CCOC1
InChIInChI=1S/C7H14.C6H13N.C6H12O.C5H11N.C5H10O.C5H10/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;2*1-5-2-3-6-4-5;1-5-3-2-4-5/h7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;5H,2-4H2,1H3
InChIKeyVLQFFYHPEJXDBJ-UHFFFAOYSA-N
XLogP8.49
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.95
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)
CID 160960969
methylcyclohexane;3-methyloxane
CID 144617317
methane;methylcyclobutane;(2R)-2-methyloxetane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(2R)-2-methylpyrrolidine;(3R)-3-methylpyrrolidine
CID 167699881
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
methane;methylcyclobutane;3-methyloxolane
CID 160852925
ethane;methane;bis(methylcyclohexane);(2S)-2-methylmorpholine;(3S)-3-methyloxane;(3R)-3-methyloxane;(2S)-2-methylpiperazine;(3S)-3-methylpiperidine;(3R)-3-methylpiperidine
CID 159218870
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
3-methyloxane;oxolane
CID 139878979
(3S)-3-methyloxolane
CID 7857636
cyclopentane;4-methylpiperidine
CID 143138909
3-methylazepane
CID 14291801
ethane;4-methyloxane;3-methyloxolane
CID 170734292

Frequently Asked Questions

What is the IUPAC name of methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine?
The IUPAC name of methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine (CID 161332742) is methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine.
What is the SMILES notation for methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine?
The canonical SMILES for methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine is CC1CCC1.CC1CCCCC1.CC1CCCOC1.CC1CCNC1.CC1CCNCC1.CC1CCOC1.
What is the InChIKey of methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine?
The InChIKey is VLQFFYHPEJXDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H13N.C6H12O.C5H11N.C5H10O.C5H10/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;2*1-5-2-3-6-4-5;1-5-3-2-4-5/h7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;5H,2-4H2,1H3.
What are the key properties of methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine?
methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine has a molecular weight of 538.95 g/mol, XLogP of 8.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine is sourced from PubChem (CID 161332742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).