5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine

C36H76N2O4 — CID 155267826

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

5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine (PubChem CID 155267826) has the molecular formula C36H76N2O4 and a molecular weight of 601.01 g/mol. Its IUPAC name is 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

• Compound Name: 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine
• PubChem CID: 155267826
• Molecular Formula: C36H76N2O4
• Molecular Weight: 601.01 g/mol
• Exact Mass: 600.58
• IUPAC Name: 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine
• SMILES: CC(C)(C)CC(C)(C)COCC(COCC(C)(C)CN)(COCC(C)(C)CC(C)(C)C)COCC(C)(C)CC(C)(C)N
• InChI: InChI=1S/C36H76N2O4/c1-29(2,3)17-31(7,8)21-39-25-36(28-42-24-34(13,14)20-37,26-40-22-32(9,10)18-30(4,5)6)27-41-23-33(11,12)19-35(15,16)38/h17-28,37-38H2,1-16H3
• InChIKey: ZCZYRJMKXYHWFE-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 88.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.01
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-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-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine (CID 155267826) is 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-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-[(3-amino-2,2-dimethylpropoxy)methyl]-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-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)COCC(COCC(C)(C)CN)(COCC(C)(C)CC(C)(C)C)COCC(C)(C)CC(C)(C)N.

What is the InChIKey of 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine?

The InChIKey is ZCZYRJMKXYHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76N2O4/c1-29(2,3)17-31(7,8)21-39-25-36(28-42-24-34(13,14)20-37,26-40-22-32(9,10)18-30(4,5)6)27-41-23-33(11,12)19-35(15,16)38/h17-28,37-38H2,1-16H3.

What are the key properties of 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine?

5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine has a molecular weight of 601.01 g/mol, XLogP of 8.10, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2,4,4-tetramethylpentoxy)-2-(2,2,4,4-tetramethylpentoxymethyl)propoxy]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 155267826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).