bis(2-amino-2-methylpropyl) hexanedioate

C14H28N2O4 — CID 102190255

IUPACbis(2-amino-2-methylpropyl) hexanedioate
SMILESCC(C)(N)COC(=O)CCCCC(=O)OCC(C)(C)N
InChIInChI=1S/C14H28N2O4/c1-13(2,15)9-19-11(17)7-5-6-8-12(18)20-10-14(3,4)16/h5-10,15-16H2,1-4H3
InChIKeyDCOVMJBLYNOZNI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.11
Rot. Bonds9

About bis(2-amino-2-methylpropyl) hexanedioate

bis(2-amino-2-methylpropyl) hexanedioate (PubChem CID 102190255) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is bis(2-amino-2-methylpropyl) hexanedioate.

Molecular Properties

Compound Namebis(2-amino-2-methylpropyl) hexanedioate
PubChem CID102190255
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namebis(2-amino-2-methylpropyl) hexanedioate
SMILESCC(C)(N)COC(=O)CCCCC(=O)OCC(C)(C)N
InChIInChI=1S/C14H28N2O4/c1-13(2,15)9-19-11(17)7-5-6-8-12(18)20-10-14(3,4)16/h5-10,15-16H2,1-4H3
InChIKeyDCOVMJBLYNOZNI-UHFFFAOYSA-N
XLogP1.11
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethyl-3-octanoyloxypropyl) dodecanoate
CID 177419977
(2,2-dimethyl-3-nonanoyloxypropyl) decanoate
CID 123293931
(3-heptanoyloxy-2,2-dimethylpropyl) dodecanoate
CID 177474266
(2,2-dimethyl-3-tetradecanoyloxypropyl) tetradecanoate
CID 23049745
(2,2-dimethyl-3-octanoyloxypropyl) decanoate
CID 22565008
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 23-hydroxytricosanoate
CID 101287111
[3-hydroxy-2-(7-hydroxyheptanoyloxymethyl)-2-methylpropyl] 7-hydroxyheptanoate
CID 101287126
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 18-hydroxyoctadecanoate
CID 101287106
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate
CID 6455786
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octanoate
CID 54006493
bis(2,2-dimethylbut-3-ynyl) hexanedioate
CID 88549845
2,2-dimethylpropyl tetradecanoate
CID 14402139

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-methylpropyl) hexanedioate?
The IUPAC name of bis(2-amino-2-methylpropyl) hexanedioate (CID 102190255) is bis(2-amino-2-methylpropyl) hexanedioate.
What is the SMILES notation for bis(2-amino-2-methylpropyl) hexanedioate?
The canonical SMILES for bis(2-amino-2-methylpropyl) hexanedioate is CC(C)(N)COC(=O)CCCCC(=O)OCC(C)(C)N.
What is the InChIKey of bis(2-amino-2-methylpropyl) hexanedioate?
The InChIKey is DCOVMJBLYNOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-13(2,15)9-19-11(17)7-5-6-8-12(18)20-10-14(3,4)16/h5-10,15-16H2,1-4H3.
What are the key properties of bis(2-amino-2-methylpropyl) hexanedioate?
bis(2-amino-2-methylpropyl) hexanedioate has a molecular weight of 288.39 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-2-methylpropyl) hexanedioate is sourced from PubChem (CID 102190255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).