1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

C20H44N4 — CID 157413036

IUPAC1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CCNC1
InChIInChI=1S/2C7H15N.C6H14N2/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h2*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBOMZPUNSNGOOCU-UHFFFAOYSA-N
MW340.60 g/mol
LogP2.90
Rot. Bonds3

About 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (PubChem CID 157413036) has the molecular formula C20H44N4 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
PubChem CID157413036
Molecular FormulaC20H44N4
Molecular Weight340.60 g/mol
Exact Mass340.36
IUPAC Name1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CCNC1
InChIInChI=1S/2C7H15N.C6H14N2/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h2*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBOMZPUNSNGOOCU-UHFFFAOYSA-N
XLogP2.90
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The IUPAC name of 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (CID 157413036) is 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is CC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CCNC1.
What is the InChIKey of 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The InChIKey is BOMZPUNSNGOOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.C6H14N2/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h2*6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine has a molecular weight of 340.60 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 157413036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).