2-ethyl-1-undecylpyrrolidine

C17H35N — CID 171569857

IUPAC2-ethyl-1-undecylpyrrolidine
SMILESCCCCCCCCCCCN1CCCC1CC
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-15-18-16-13-14-17(18)4-2/h17H,3-16H2,1-2H3
InChIKeyRKNOMJOMFCYUII-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.39
Rot. Bonds11

About 2-ethyl-1-undecylpyrrolidine

2-ethyl-1-undecylpyrrolidine (PubChem CID 171569857) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-ethyl-1-undecylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-undecylpyrrolidine
PubChem CID171569857
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-ethyl-1-undecylpyrrolidine
SMILESCCCCCCCCCCCN1CCCC1CC
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-15-18-16-13-14-17(18)4-2/h17H,3-16H2,1-2H3
InChIKeyRKNOMJOMFCYUII-UHFFFAOYSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-2-ethylpiperidine
CID 171569899
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-ethyl-1-hexylpyrrolidine;trifluoromethanesulfonic acid
CID 175583880
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
5-(2-ethylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 62438607
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-undecylpyrrolidine?
The IUPAC name of 2-ethyl-1-undecylpyrrolidine (CID 171569857) is 2-ethyl-1-undecylpyrrolidine.
What is the SMILES notation for 2-ethyl-1-undecylpyrrolidine?
The canonical SMILES for 2-ethyl-1-undecylpyrrolidine is CCCCCCCCCCCN1CCCC1CC.
What is the InChIKey of 2-ethyl-1-undecylpyrrolidine?
The InChIKey is RKNOMJOMFCYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-15-18-16-13-14-17(18)4-2/h17H,3-16H2,1-2H3.
What are the key properties of 2-ethyl-1-undecylpyrrolidine?
2-ethyl-1-undecylpyrrolidine has a molecular weight of 253.47 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-undecylpyrrolidine is sourced from PubChem (CID 171569857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).