bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate

C34H68N2O4 — CID 123575246

IUPACbis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate
SMILESCCC(C)(CCC(C)(CC)C(=O)OC(C)CC(C)(C)N(C)C(C)(C)C)C(=O)OC(C)CC(C)(C)N(C)C(C)(C)C
InChIInChI=1S/C34H68N2O4/c1-19-33(15,27(37)39-25(3)23-31(11,12)35(17)29(5,6)7)21-22-34(16,20-2)28(38)40-26(4)24-32(13,14)36(18)30(8,9)10/h25-26H,19-24H2,1-18H3
InChIKeySGOMBFOTGNBMNT-UHFFFAOYSA-N
MW568.93 g/mol
LogP8.26
Rot. Bonds15

About bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate

bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate (PubChem CID 123575246) has the molecular formula C34H68N2O4 and a molecular weight of 568.93 g/mol. Its IUPAC name is bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate.

Molecular Properties

Compound Namebis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate
PubChem CID123575246
Molecular FormulaC34H68N2O4
Molecular Weight568.93 g/mol
Exact Mass568.52
IUPAC Namebis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate
SMILESCCC(C)(CCC(C)(CC)C(=O)OC(C)CC(C)(C)N(C)C(C)(C)C)C(=O)OC(C)CC(C)(C)N(C)C(C)(C)C
InChIInChI=1S/C34H68N2O4/c1-19-33(15,27(37)39-25(3)23-31(11,12)35(17)29(5,6)7)21-22-34(16,20-2)28(38)40-26(4)24-32(13,14)36(18)30(8,9)10/h25-26H,19-24H2,1-18H3
InChIKeySGOMBFOTGNBMNT-UHFFFAOYSA-N
XLogP8.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.93
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-oxopropan-2-yl 2-ethyl-2,4-dimethylpentanoate
CID 144582731
propan-2-yl 2-methyl-2-propylpentanoate
CID 118411405
41-O-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O-icosakis(1,1,1-trifluoropropan-2-yl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-docosamethyltritetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosacarboxylate
CID 146695697
decapropan-2-yl 1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylate
CID 130232997
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
2,3-dihydroxypropyl 2-ethyl-2,5-dimethylhexanoate
CID 151891886
N,2,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 88871230
1-O-(1-hydroxypropan-2-yl) 5-O-(2-methoxyethyl) 4-(3-amino-2-methyl-3-oxopropyl)-2-ethyl-2,4-dimethylpentanedioate
CID 22085921
5-O-[2-[5,5-dimethyl-6-oxo-6-(1,1,1-trifluoropropan-2-yloxy)hexanoyl]oxyethyl] 1-O-(1,1,1-trifluoropropan-2-yl) 2-ethyl-2-methylpentanedioate
CID 163958198
methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63965365

Frequently Asked Questions

What is the IUPAC name of bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate?
The IUPAC name of bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate (CID 123575246) is bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate.
What is the SMILES notation for bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate?
The canonical SMILES for bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate is CCC(C)(CCC(C)(CC)C(=O)OC(C)CC(C)(C)N(C)C(C)(C)C)C(=O)OC(C)CC(C)(C)N(C)C(C)(C)C.
What is the InChIKey of bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate?
The InChIKey is SGOMBFOTGNBMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2O4/c1-19-33(15,27(37)39-25(3)23-31(11,12)35(17)29(5,6)7)21-22-34(16,20-2)28(38)40-26(4)24-32(13,14)36(18)30(8,9)10/h25-26H,19-24H2,1-18H3.
What are the key properties of bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate?
bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate has a molecular weight of 568.93 g/mol, XLogP of 8.26, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[tert-butyl(methyl)amino]-4-methylpentan-2-yl] 2,5-diethyl-2,5-dimethylhexanedioate is sourced from PubChem (CID 123575246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).