4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium

C13H30N2O+2 — CID 19792725

IUPAC4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
SMILESCC(C)[NH+]1CCCC1.CC[NH+]1CCOCC1
InChIInChI=1S/C7H15N.C6H13NO/c1-7(2)8-5-3-4-6-8;1-2-7-3-5-8-6-4-7/h7H,3-6H2,1-2H3;2-6H2,1H3/p+2
InChIKeyVYTIHLDTFKFHET-UHFFFAOYSA-P
MW230.40 g/mol
LogP-1.01
Rot. Bonds2

About 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium

4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium (PubChem CID 19792725) has the molecular formula C13H30N2O+2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium.

Molecular Properties

Compound Name4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
PubChem CID19792725
Molecular FormulaC13H30N2O+2
Molecular Weight230.40 g/mol
Exact Mass230.23
IUPAC Name4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
SMILESCC(C)[NH+]1CCCC1.CC[NH+]1CCOCC1
InChIInChI=1S/C7H15N.C6H13NO/c1-7(2)8-5-3-4-6-8;1-2-7-3-5-8-6-4-7/h7H,3-6H2,1-2H3;2-6H2,1H3/p+2
InChIKeyVYTIHLDTFKFHET-UHFFFAOYSA-P
XLogP-1.01
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-ylpiperidin-1-ium
CID 23277982
4-butylmorpholin-4-ium
CID 18931037
4-[(3S)-3-phenylbutyl]morpholin-4-ium
CID 6938412
1-ethylpyrrolidin-1-ium tetrafluoroborate
CID 87289720
2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol
CID 7330451
2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7015303
butane;bis(4-methylmorpholin-4-ium);dibromide
CID 159010393
acetonitrile;4-butylmorpholin-4-ium
CID 86752402
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
(2S)-6-morpholin-4-ium-4-ylhex-4-yn-2-ol
CID 7272440
4-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)ethyl]morpholin-4-ium dichloride
CID 110175239
4-[(2R)-2-phenylpropyl]morpholin-4-ium
CID 6938323

Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium?
The IUPAC name of 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium (CID 19792725) is 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium.
What is the SMILES notation for 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium?
The canonical SMILES for 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium is CC(C)[NH+]1CCCC1.CC[NH+]1CCOCC1.
What is the InChIKey of 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium?
The InChIKey is VYTIHLDTFKFHET-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H15N.C6H13NO/c1-7(2)8-5-3-4-6-8;1-2-7-3-5-8-6-4-7/h7H,3-6H2,1-2H3;2-6H2,1H3/p+2.
What are the key properties of 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium?
4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium has a molecular weight of 230.40 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium is sourced from PubChem (CID 19792725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).