2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

C115H242N12O3 — CID 159233853

IUPAC2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESCC(C)(C)C1CCCN1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/3C9H18.3C8H17N.2C8H16.C7H16N2.3C7H15NO.2C7H15N.C6H14N2/c3*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8/h3*8-9H,3-7H2,1-2H3;7,9H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyKTFOZGGOMPIEBK-UHFFFAOYSA-N
MW1841.28 g/mol
LogP25.93
Rot. Bonds14

About 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (PubChem CID 159233853) has the molecular formula C115H242N12O3 and a molecular weight of 1841.28 g/mol. Its IUPAC name is 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
PubChem CID159233853
Molecular FormulaC115H242N12O3
Molecular Weight1841.28 g/mol
Exact Mass1839.92
IUPAC Name2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESCC(C)(C)C1CCCN1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1
InChIInChI=1S/3C9H18.3C8H17N.2C8H16.C7H16N2.3C7H15NO.2C7H15N.C6H14N2/c3*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8/h3*8-9H,3-7H2,1-2H3;7,9H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyKTFOZGGOMPIEBK-UHFFFAOYSA-N
XLogP25.93
TPSA128.10 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001841.28
LogP ≤ 525.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The IUPAC name of 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (CID 159233853) is 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The canonical SMILES for 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is CC(C)(C)C1CCCN1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)C1CNCCO1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCNC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.
What is the InChIKey of 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The InChIKey is KTFOZGGOMPIEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H18.3C8H17N.2C8H16.C7H16N2.3C7H15NO.2C7H15N.C6H14N2/c3*1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8/h3*8-9H,3-7H2,1-2H3;7,9H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine has a molecular weight of 1841.28 g/mol, XLogP of 25.93, 14 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrrolidine;tris(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);1-propan-2-ylimidazolidine;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 159233853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).