1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine

C126H267N15O10 — CID 167570951

IUPAC1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine
SMILESCC(C)(C)CC1CC1CC(C)(C)C.CC(C)(C)CC1CC1COC(C)(C)C.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/2C17H37N3O.2C17H36N2O2.C16H35N3O.C16H34N2O2.C13H26O.C13H26/c2*1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(4,5)6;2*1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-12(2,3)8-10-7-11(10)9-14-13(4,5)6;1-12(2,3)8-10-7-11(10)9-13(4,5)6/h2*18H,7-15H2,1-6H3;2*7-15H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;10-11H,7-9H2,1-6H3;10-11H,7-9H2,1-6H3
InChIKeyFXBXIAFTBLVDKV-UHFFFAOYSA-N
MW2152.62 g/mol
LogP21.48
Rot. Bonds45

About 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine

1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine (PubChem CID 167570951) has the molecular formula C126H267N15O10 and a molecular weight of 2152.62 g/mol. Its IUPAC name is 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine
PubChem CID167570951
Molecular FormulaC126H267N15O10
Molecular Weight2152.62 g/mol
Exact Mass2151.08
IUPAC Name1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine
SMILESCC(C)(C)CC1CC1CC(C)(C)C.CC(C)(C)CC1CC1COC(C)(C)C.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/2C17H37N3O.2C17H36N2O2.C16H35N3O.C16H34N2O2.C13H26O.C13H26/c2*1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(4,5)6;2*1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-12(2,3)8-10-7-11(10)9-14-13(4,5)6;1-12(2,3)8-10-7-11(10)9-13(4,5)6/h2*18H,7-15H2,1-6H3;2*7-15H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;10-11H,7-9H2,1-6H3;10-11H,7-9H2,1-6H3
InChIKeyFXBXIAFTBLVDKV-UHFFFAOYSA-N
XLogP21.48
TPSA167.27 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds45
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002152.62
LogP ≤ 521.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine?
The IUPAC name of 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine (CID 167570951) is 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine is CC(C)(C)CC1CC1CC(C)(C)C.CC(C)(C)CC1CC1COC(C)(C)C.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine?
The InChIKey is FXBXIAFTBLVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H37N3O.2C17H36N2O2.C16H35N3O.C16H34N2O2.C13H26O.C13H26/c2*1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(4,5)6;2*1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-12(2,3)8-10-7-11(10)9-14-13(4,5)6;1-12(2,3)8-10-7-11(10)9-13(4,5)6/h2*18H,7-15H2,1-6H3;2*7-15H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;10-11H,7-9H2,1-6H3;10-11H,7-9H2,1-6H3.
What are the key properties of 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine?
1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine has a molecular weight of 2152.62 g/mol, XLogP of 21.48, 45 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,2-dimethylpropyl)cyclopropane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine);bis(1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 167570951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).