5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide

C15H34N4O — CID 172993804

IUPAC5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide
SMILESCC(CCN)C(C)(C)C(=O)NCCCNCCCCN
InChIInChI=1S/C15H34N4O/c1-13(7-9-17)15(2,3)14(20)19-12-6-11-18-10-5-4-8-16/h13,18H,4-12,16-17H2,1-3H3,(H,19,20)
InChIKeyPSAQFIYKVISTIB-UHFFFAOYSA-N
MW286.46 g/mol
LogP0.83
Rot. Bonds12

About 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide

5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide (PubChem CID 172993804) has the molecular formula C15H34N4O and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide
PubChem CID172993804
Molecular FormulaC15H34N4O
Molecular Weight286.46 g/mol
Exact Mass286.27
IUPAC Name5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide
SMILESCC(CCN)C(C)(C)C(=O)NCCCNCCCCN
InChIInChI=1S/C15H34N4O/c1-13(7-9-17)15(2,3)14(20)19-12-6-11-18-10-5-4-8-16/h13,18H,4-12,16-17H2,1-3H3,(H,19,20)
InChIKeyPSAQFIYKVISTIB-UHFFFAOYSA-N
XLogP0.83
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide?
The IUPAC name of 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide (CID 172993804) is 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide.
What is the SMILES notation for 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide?
The canonical SMILES for 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide is CC(CCN)C(C)(C)C(=O)NCCCNCCCCN.
What is the InChIKey of 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide?
The InChIKey is PSAQFIYKVISTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O/c1-13(7-9-17)15(2,3)14(20)19-12-6-11-18-10-5-4-8-16/h13,18H,4-12,16-17H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide?
5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide has a molecular weight of 286.46 g/mol, XLogP of 0.83, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(4-aminobutylamino)propyl]-2,2,3-trimethylpentanamide is sourced from PubChem (CID 172993804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).