1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C34H74N6O — CID 167703240

IUPAC1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C7H15NO.C7H15N.C6H14N2.C6H13N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyYSFPBCAMMBBXBY-UHFFFAOYSA-N
MW583.01 g/mol
LogP5.46
Rot. Bonds5

About 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 167703240) has the molecular formula C34H74N6O and a molecular weight of 583.01 g/mol. Its IUPAC name is 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID167703240
Molecular FormulaC34H74N6O
Molecular Weight583.01 g/mol
Exact Mass582.59
IUPAC Name1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H17N.C7H15NO.C7H15N.C6H14N2.C6H13N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyYSFPBCAMMBBXBY-UHFFFAOYSA-N
XLogP5.46
TPSA37.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.01
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 167703240) is 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNC1.CC(C)N1CCOCC1.
What is the InChIKey of 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is YSFPBCAMMBBXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H15NO.C7H15N.C6H14N2.C6H13N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 583.01 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 167703240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).