1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine

C132H278N26O12 — CID 167587997

IUPAC1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine
SMILESCC(C)OCCCOCCNC(C)(C)C.CC(C)OCCCOCCNC(C)(C)C.CCCN1CC(=O)N(CCCNC(C)(C)C)CC1=O.CCCN1CC(=O)N(CCNC(C)(C)C)CC1=O.CCCN1CCN(CCCNC(C)(C)C)C(=O)C1.CCCN1CCN(CCCNC(C)(C)C)CC1.CCCN1CCN(CCCNC(C)(C)C)CC1=O.CCCN1CCN(CCNC(C)(C)C)C(=O)C1.CCCN1CCN(CCNC(C)(C)C)CC1.CCCN1CCN(CCNC(C)(C)C)CC1=O
InChIInChI=1S/C14H27N3O2.2C14H29N3O.C14H31N3.C13H25N3O2.2C13H27N3O.C13H29N3.2C12H27NO2/c1-5-8-16-10-13(19)17(11-12(16)18)9-6-7-15-14(2,3)4;1-5-8-17-11-10-16(12-13(17)18)9-6-7-15-14(2,3)4;1-5-8-16-10-11-17(13(18)12-16)9-6-7-15-14(2,3)4;1-5-8-16-10-12-17(13-11-16)9-6-7-15-14(2,3)4;1-5-7-15-9-12(18)16(10-11(15)17)8-6-14-13(2,3)4;1-5-7-16-10-9-15(11-12(16)17)8-6-14-13(2,3)4;1-5-7-15-9-10-16(12(17)11-15)8-6-14-13(2,3)4;1-5-7-15-9-11-16(12-10-15)8-6-14-13(2,3)4;2*1-11(2)15-9-6-8-14-10-7-13-12(3,4)5/h15H,5-11H2,1-4H3;2*15H,5-12H2,1-4H3;15H,5-13H2,1-4H3;14H,5-10H2,1-4H3;2*14H,5-11H2,1-4H3;14H,5-12H2,1-4H3;2*11,13H,6-10H2,1-5H3
InChIKeyIAXFZPARYRWDAH-UHFFFAOYSA-N
MW2421.85 g/mol
LogP13.40
Rot. Bonds60

About 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine

1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine (PubChem CID 167587997) has the molecular formula C132H278N26O12 and a molecular weight of 2421.85 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine
PubChem CID167587997
Molecular FormulaC132H278N26O12
Molecular Weight2421.85 g/mol
Exact Mass2420.19
IUPAC Name1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine
SMILESCC(C)OCCCOCCNC(C)(C)C.CC(C)OCCCOCCNC(C)(C)C.CCCN1CC(=O)N(CCCNC(C)(C)C)CC1=O.CCCN1CC(=O)N(CCNC(C)(C)C)CC1=O.CCCN1CCN(CCCNC(C)(C)C)C(=O)C1.CCCN1CCN(CCCNC(C)(C)C)CC1.CCCN1CCN(CCCNC(C)(C)C)CC1=O.CCCN1CCN(CCNC(C)(C)C)C(=O)C1.CCCN1CCN(CCNC(C)(C)C)CC1.CCCN1CCN(CCNC(C)(C)C)CC1=O
InChIInChI=1S/C14H27N3O2.2C14H29N3O.C14H31N3.C13H25N3O2.2C13H27N3O.C13H29N3.2C12H27NO2/c1-5-8-16-10-13(19)17(11-12(16)18)9-6-7-15-14(2,3)4;1-5-8-17-11-10-16(12-13(17)18)9-6-7-15-14(2,3)4;1-5-8-16-10-11-17(13(18)12-16)9-6-7-15-14(2,3)4;1-5-8-16-10-12-17(13-11-16)9-6-7-15-14(2,3)4;1-5-7-15-9-12(18)16(10-11(15)17)8-6-14-13(2,3)4;1-5-7-16-10-9-15(11-12(16)17)8-6-14-13(2,3)4;1-5-7-15-9-10-16(12(17)11-15)8-6-14-13(2,3)4;1-5-7-15-9-11-16(12-10-15)8-6-14-13(2,3)4;2*1-11(2)15-9-6-8-14-10-7-13-12(3,4)5/h15H,5-11H2,1-4H3;2*15H,5-12H2,1-4H3;15H,5-13H2,1-4H3;14H,5-10H2,1-4H3;2*14H,5-11H2,1-4H3;14H,5-12H2,1-4H3;2*11,13H,6-10H2,1-5H3
InChIKeyIAXFZPARYRWDAH-UHFFFAOYSA-N
XLogP13.40
TPSA345.62 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds60
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002421.85
LogP ≤ 513.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine (CID 167587997) is 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine is CC(C)OCCCOCCNC(C)(C)C.CC(C)OCCCOCCNC(C)(C)C.CCCN1CC(=O)N(CCCNC(C)(C)C)CC1=O.CCCN1CC(=O)N(CCNC(C)(C)C)CC1=O.CCCN1CCN(CCCNC(C)(C)C)C(=O)C1.CCCN1CCN(CCCNC(C)(C)C)CC1.CCCN1CCN(CCCNC(C)(C)C)CC1=O.CCCN1CCN(CCNC(C)(C)C)C(=O)C1.CCCN1CCN(CCNC(C)(C)C)CC1.CCCN1CCN(CCNC(C)(C)C)CC1=O.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine?
The InChIKey is IAXFZPARYRWDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2C14H29N3O.C14H31N3.C13H25N3O2.2C13H27N3O.C13H29N3.2C12H27NO2/c1-5-8-16-10-13(19)17(11-12(16)18)9-6-7-15-14(2,3)4;1-5-8-17-11-10-16(12-13(17)18)9-6-7-15-14(2,3)4;1-5-8-16-10-11-17(13(18)12-16)9-6-7-15-14(2,3)4;1-5-8-16-10-12-17(13-11-16)9-6-7-15-14(2,3)4;1-5-7-15-9-12(18)16(10-11(15)17)8-6-14-13(2,3)4;1-5-7-16-10-9-15(11-12(16)17)8-6-14-13(2,3)4;1-5-7-15-9-10-16(12(17)11-15)8-6-14-13(2,3)4;1-5-7-15-9-11-16(12-10-15)8-6-14-13(2,3)4;2*1-11(2)15-9-6-8-14-10-7-13-12(3,4)5/h15H,5-11H2,1-4H3;2*15H,5-12H2,1-4H3;15H,5-13H2,1-4H3;14H,5-10H2,1-4H3;2*14H,5-11H2,1-4H3;14H,5-12H2,1-4H3;2*11,13H,6-10H2,1-5H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine?
1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine has a molecular weight of 2421.85 g/mol, XLogP of 13.40, 60 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;bis(2-methyl-N-[2-(3-propan-2-yloxypropoxy)ethyl]propan-2-amine);2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine is sourced from PubChem (CID 167587997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).