3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine

C20H46N2 — CID 159916829

IUPAC3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine
SMILESC.C.CC1CCCCC1.CC1CCNC1.CCC1CCNC1
InChIInChI=1S/C7H14.C6H13N.C5H11N.2CH4/c1-7-5-3-2-4-6-7;1-2-6-3-4-7-5-6;1-5-2-3-6-4-5;;/h7H,2-6H2,1H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;2*1H4
InChIKeyNXWUYWCVYDJLNV-UHFFFAOYSA-N
MW314.60 g/mol
LogP5.48
Rot. Bonds1

About 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine

3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine (PubChem CID 159916829) has the molecular formula C20H46N2 and a molecular weight of 314.60 g/mol. Its IUPAC name is 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine.

Molecular Properties

Compound Name3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine
PubChem CID159916829
Molecular FormulaC20H46N2
Molecular Weight314.60 g/mol
Exact Mass314.37
IUPAC Name3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine
SMILESC.C.CC1CCCCC1.CC1CCNC1.CCC1CCNC1
InChIInChI=1S/C7H14.C6H13N.C5H11N.2CH4/c1-7-5-3-2-4-6-7;1-2-6-3-4-7-5-6;1-5-2-3-6-4-5;;/h7H,2-6H2,1H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;2*1H4
InChIKeyNXWUYWCVYDJLNV-UHFFFAOYSA-N
XLogP5.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethylpyrrolidine
CID 143803201
3-ethylazonane
CID 154533924
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
3-methylazepane
CID 14291801
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
5-cyclohexyl-3-ethylazepane
CID 22627824
methane;methylcyclohexane;propane
CID 143031585
cyclopentane;4-methylpiperidine
CID 143138909
1-ethyl-4-methylcyclooctane;methane
CID 159989571
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
ethane;methanol;3-methylpyrrolidine
CID 143573656
methanethiol;3-methylpyrrolidine;dihydrate
CID 169181440

Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine?
The IUPAC name of 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine (CID 159916829) is 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine.
What is the SMILES notation for 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine?
The canonical SMILES for 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine is C.C.CC1CCCCC1.CC1CCNC1.CCC1CCNC1.
What is the InChIKey of 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine?
The InChIKey is NXWUYWCVYDJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H13N.C5H11N.2CH4/c1-7-5-3-2-4-6-7;1-2-6-3-4-7-5-6;1-5-2-3-6-4-5;;/h7H,2-6H2,1H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;2*1H4.
What are the key properties of 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine?
3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine has a molecular weight of 314.60 g/mol, XLogP of 5.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine is sourced from PubChem (CID 159916829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).