5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine

C37H77NO4 — CID 155267883

IUPAC5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine
SMILESCCC(C)(C)COCC(COCC(C)(C)CC(C)(C)C)(COCC(C)(C)CC(C)(C)C)COCC(C)(C)CC(C)(C)N
InChIInChI=1S/C37H77NO4/c1-18-32(8,9)22-39-26-37(27-40-23-33(10,11)19-30(2,3)4,28-41-24-34(12,13)20-31(5,6)7)29-42-25-35(14,15)21-36(16,17)38/h18-29,38H2,1-17H3
InChIKeyBAMJCRDYXJRRPS-UHFFFAOYSA-N
MW600.03 g/mol
LogP9.55
Rot. Bonds21

About 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine

5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine (PubChem CID 155267883) has the molecular formula C37H77NO4 and a molecular weight of 600.03 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine
PubChem CID155267883
Molecular FormulaC37H77NO4
Molecular Weight600.03 g/mol
Exact Mass599.59
IUPAC Name5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine
SMILESCCC(C)(C)COCC(COCC(C)(C)CC(C)(C)C)(COCC(C)(C)CC(C)(C)C)COCC(C)(C)CC(C)(C)N
InChIInChI=1S/C37H77NO4/c1-18-32(8,9)22-39-26-37(27-40-23-33(10,11)19-30(2,3)4,28-41-24-34(12,13)20-31(5,6)7)29-42-25-35(14,15)21-36(16,17)38/h18-29,38H2,1-17H3
InChIKeyBAMJCRDYXJRRPS-UHFFFAOYSA-N
XLogP9.55
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.03
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine (CID 155267883) is 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine is CCC(C)(C)COCC(COCC(C)(C)CC(C)(C)C)(COCC(C)(C)CC(C)(C)C)COCC(C)(C)CC(C)(C)N.
What is the InChIKey of 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine?
The InChIKey is BAMJCRDYXJRRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77NO4/c1-18-32(8,9)22-39-26-37(27-40-23-33(10,11)19-30(2,3)4,28-41-24-34(12,13)20-31(5,6)7)29-42-25-35(14,15)21-36(16,17)38/h18-29,38H2,1-17H3.
What are the key properties of 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine?
5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine has a molecular weight of 600.03 g/mol, XLogP of 9.55, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-dimethylbutoxymethyl)-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 155267883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).