1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine

C36H76N4 — CID 174654202

IUPAC1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
SMILESCCCCN1CCCC1C.CCCCN1CCCC1CC.CCCN1CCCC1C.CCCN1CCCC1CC
InChIInChI=1S/C10H21N.2C9H19N.C8H17N/c1-3-5-8-11-9-6-7-10(11)4-2;1-3-4-7-10-8-5-6-9(10)2;1-3-7-10-8-5-6-9(10)4-2;1-3-6-9-7-4-5-8(9)2/h10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyUOFNTLXINIZZNZ-UHFFFAOYSA-N
MW565.03 g/mol
LogP9.08
Rot. Bonds12

About 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine

1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine (PubChem CID 174654202) has the molecular formula C36H76N4 and a molecular weight of 565.03 g/mol. Its IUPAC name is 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine.

Molecular Properties

Compound Name1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
PubChem CID174654202
Molecular FormulaC36H76N4
Molecular Weight565.03 g/mol
Exact Mass564.61
IUPAC Name1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
SMILESCCCCN1CCCC1C.CCCCN1CCCC1CC.CCCN1CCCC1C.CCCN1CCCC1CC
InChIInChI=1S/C10H21N.2C9H19N.C8H17N/c1-3-5-8-11-9-6-7-10(11)4-2;1-3-4-7-10-8-5-6-9(10)2;1-3-7-10-8-5-6-9(10)4-2;1-3-6-9-7-4-5-8(9)2/h10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyUOFNTLXINIZZNZ-UHFFFAOYSA-N
XLogP9.08
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.03
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
2-ethyl-1-undecylpyrrolidine
CID 171569857
1-dodecyl-2-ethylpiperidine
CID 171569899
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-methyl-1-pentylazepane
CID 134994557
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 61386205
2-ethyl-5-methyl-1-propyl-azacycloundecane
CID 123350465
1-butyl-2-methylpiperidine;trifluoro(trifluoromethylsulfanyl)methane
CID 174970526
1-heptyl-2-methylpyrrolidine;methanesulfonic acid
CID 175584058

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine?
The IUPAC name of 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine (CID 174654202) is 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine.
What is the SMILES notation for 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine?
The canonical SMILES for 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine is CCCCN1CCCC1C.CCCCN1CCCC1CC.CCCN1CCCC1C.CCCN1CCCC1CC.
What is the InChIKey of 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine?
The InChIKey is UOFNTLXINIZZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.2C9H19N.C8H17N/c1-3-5-8-11-9-6-7-10(11)4-2;1-3-4-7-10-8-5-6-9(10)2;1-3-7-10-8-5-6-9(10)4-2;1-3-6-9-7-4-5-8(9)2/h10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine?
1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine has a molecular weight of 565.03 g/mol, XLogP of 9.08, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine is sourced from PubChem (CID 174654202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).