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

C30H65N3O4 — CID 130368058

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

5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine (PubChem CID 130368058) has the molecular formula C30H65N3O4 and a molecular weight of 531.87 g/mol. Its IUPAC name is 5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

• Compound Name: 5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine
• PubChem CID: 130368058
• Molecular Formula: C30H65N3O4
• Molecular Weight: 531.87 g/mol
• Exact Mass: 531.50
• IUPAC Name: 5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine
• SMILES: CC(COCC(COCC(C)(C)C)(COCC(C)(C)CN)COCC(C)(C)CC(C)(C)N)CC(C)(C)N
• InChI: InChI=1S/C30H65N3O4/c1-24(13-28(9,10)32)14-34-20-30(21-35-17-25(2,3)4,23-37-19-27(7,8)16-31)22-36-18-26(5,6)15-29(11,12)33/h24H,13-23,31-33H2,1-12H3
• InChIKey: CMFPISAAINWRPC-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 114.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.87
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine (CID 130368058) is 5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine.

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

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

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

The InChIKey is CMFPISAAINWRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H65N3O4/c1-24(13-28(9,10)32)14-34-20-30(21-35-17-25(2,3)4,23-37-19-27(7,8)16-31)22-36-18-26(5,6)15-29(11,12)33/h24H,13-23,31-33H2,1-12H3.

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

5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine has a molecular weight of 531.87 g/mol, XLogP of 4.99, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(4-amino-2,4-dimethylpentoxy)methyl]-2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(2,2-dimethylpropoxy)propoxy]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 130368058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).