4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine

C18H36N4O — CID 69467897

IUPAC4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine
SMILESC[C@H]1CCCN1CCCN1CCN(CCCN2CCOCC2)C1
InChIInChI=1S/C18H36N4O/c1-18-5-2-9-22(18)10-4-8-21-12-11-20(17-21)7-3-6-19-13-15-23-16-14-19/h18H,2-17H2,1H3/t18-/m0/s1
InChIKeyTUSOWDOVXFIQCJ-SFHVURJKSA-N
MW324.51 g/mol
LogP1.16
Rot. Bonds8

About 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine

4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine (PubChem CID 69467897) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine
PubChem CID69467897
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine
SMILESC[C@H]1CCCN1CCCN1CCN(CCCN2CCOCC2)C1
InChIInChI=1S/C18H36N4O/c1-18-5-2-9-22(18)10-4-8-21-12-11-20(17-21)7-3-6-19-13-15-23-16-14-19/h18H,2-17H2,1H3/t18-/m0/s1
InChIKeyTUSOWDOVXFIQCJ-SFHVURJKSA-N
XLogP1.16
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine (CID 69467897) is 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine is C[C@H]1CCCN1CCCN1CCN(CCCN2CCOCC2)C1.
What is the InChIKey of 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine?
The InChIKey is TUSOWDOVXFIQCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H36N4O/c1-18-5-2-9-22(18)10-4-8-21-12-11-20(17-21)7-3-6-19-13-15-23-16-14-19/h18H,2-17H2,1H3/t18-/m0/s1.
What are the key properties of 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine?
4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine has a molecular weight of 324.51 g/mol, XLogP of 1.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]morpholine is sourced from PubChem (CID 69467897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).