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

C34H74N4O4 — CID 155267878

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

5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine (PubChem CID 155267878) has the molecular formula C34H74N4O4 and a molecular weight of 602.99 g/mol. Its IUPAC name is 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

• Compound Name: 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine
• PubChem CID: 155267878
• Molecular Formula: C34H74N4O4
• Molecular Weight: 602.99 g/mol
• Exact Mass: 602.57
• IUPAC Name: 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine
• SMILES: CC(C)(N)CC(C)(C)COCC(COCC(C)(C)CN)(COCC(C)(C)CC(C)(C)N)COCC(C)(C)CC(C)(C)N
• InChI: InChI=1S/C34H74N4O4/c1-27(2,15-31(9,10)36)19-39-23-34(26-42-22-30(7,8)18-35,24-40-20-28(3,4)16-32(11,12)37)25-41-21-29(5,6)17-33(13,14)38/h15-26,35-38H2,1-14H3
• InChIKey: WJLHSFYYDSJQFY-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 141.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.99
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine?

The IUPAC name of 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine (CID 155267878) is 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine.

What is the SMILES notation for 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine?

The canonical SMILES for 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine is CC(C)(N)CC(C)(C)COCC(COCC(C)(C)CN)(COCC(C)(C)CC(C)(C)N)COCC(C)(C)CC(C)(C)N.

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

The InChIKey is WJLHSFYYDSJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H74N4O4/c1-27(2,15-31(9,10)36)19-39-23-34(26-42-22-30(7,8)18-35,24-40-20-28(3,4)16-32(11,12)37)25-41-21-29(5,6)17-33(13,14)38/h15-26,35-38H2,1-14H3.

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

5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine has a molecular weight of 602.99 g/mol, XLogP of 5.48, 23 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 155267878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).