1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine

C12H24N2 — CID 116679486

IUPAC1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine
SMILESCCC1CCCN1CC(C)C1CNC1
InChIInChI=1S/C12H24N2/c1-3-12-5-4-6-14(12)9-10(2)11-7-13-8-11/h10-13H,3-9H2,1-2H3
InChIKeyBYAMHLRXXGHSSX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine

1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine (PubChem CID 116679486) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine
PubChem CID116679486
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine
SMILESCCC1CCCN1CC(C)C1CNC1
InChIInChI=1S/C12H24N2/c1-3-12-5-4-6-14(12)9-10(2)11-7-13-8-11/h10-13H,3-9H2,1-2H3
InChIKeyBYAMHLRXXGHSSX-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
CID 116679483
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506
1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 116680176
4-[2-(azetidin-3-yl)propyl]-3-ethylmorpholine
CID 116679461
2-ethyl-1-(2-fluoropropyl)pyrrolidine
CID 177053751
1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine
CID 60973405
4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
CID 80544432
1-cyclohexyl-2-(2-ethylpiperidin-1-yl)ethanamine
CID 113448010
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 116679809
N-[3-(2-ethylpyrrolidin-1-yl)-2-methylpropyl]cyclopropanamine
CID 62438600
1,2-diethylpyrrolidine;hydrochloride
CID 175060343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine (CID 116679486) is 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine is CCC1CCCN1CC(C)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine?
The InChIKey is BYAMHLRXXGHSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-12-5-4-6-14(12)9-10(2)11-7-13-8-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine?
1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine is sourced from PubChem (CID 116679486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).