ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine

C35H84N6 — CID 157119922

IUPACethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)C1CCCN1.CC(C)N1CCCC1.CC(C)N1CCNC1.CC(C)N1CCNCC1
InChIInChI=1S/C7H16N2.2C7H15N.C6H14N2.4C2H6/c1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;4*1-2/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;4*1-2H3
InChIKeyAHVRIUUCTWJXLO-UHFFFAOYSA-N
MW589.10 g/mol
LogP7.55
Rot. Bonds4

About ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine

ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine (PubChem CID 157119922) has the molecular formula C35H84N6 and a molecular weight of 589.10 g/mol. Its IUPAC name is ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
PubChem CID157119922
Molecular FormulaC35H84N6
Molecular Weight589.10 g/mol
Exact Mass588.68
IUPAC Nameethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)C1CCCN1.CC(C)N1CCCC1.CC(C)N1CCNC1.CC(C)N1CCNCC1
InChIInChI=1S/C7H16N2.2C7H15N.C6H14N2.4C2H6/c1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;4*1-2/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;4*1-2H3
InChIKeyAHVRIUUCTWJXLO-UHFFFAOYSA-N
XLogP7.55
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.10
LogP ≤ 57.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
The IUPAC name of ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine (CID 157119922) is ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine is CC.CC.CC.CC.CC(C)C1CCCN1.CC(C)N1CCCC1.CC(C)N1CCNC1.CC(C)N1CCNCC1.
What is the InChIKey of ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
The InChIKey is AHVRIUUCTWJXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2C7H15N.C6H14N2.4C2H6/c1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;4*1-2/h7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;4*1-2H3.
What are the key properties of ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine?
ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine has a molecular weight of 589.10 g/mol, XLogP of 7.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine is sourced from PubChem (CID 157119922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).