N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide

C26H58N8O2 — CID 10279393

IUPACN,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide
SMILESNCCCNCCCCNCCCNC(=O)CCCCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C26H58N8O2/c27-13-7-19-29-15-3-5-17-31-21-9-23-33-25(35)11-1-2-12-26(36)34-24-10-22-32-18-6-4-16-30-20-8-14-28/h29-32H,1-24,27-28H2,(H,33,35)(H,34,36)
InChIKeyHDZLDJYGHBKTGT-UHFFFAOYSA-N
MW514.80 g/mol
LogP0.18
Rot. Bonds29

About N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide

N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide (PubChem CID 10279393) has the molecular formula C26H58N8O2 and a molecular weight of 514.80 g/mol. Its IUPAC name is N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide
PubChem CID10279393
Molecular FormulaC26H58N8O2
Molecular Weight514.80 g/mol
Exact Mass514.47
IUPAC NameN,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide
SMILESNCCCNCCCCNCCCNC(=O)CCCCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C26H58N8O2/c27-13-7-19-29-15-3-5-17-31-21-9-23-33-25(35)11-1-2-12-26(36)34-24-10-22-32-18-6-4-16-30-20-8-14-28/h29-32H,1-24,27-28H2,(H,33,35)(H,34,36)
InChIKeyHDZLDJYGHBKTGT-UHFFFAOYSA-N
XLogP0.18
TPSA158.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 50.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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 N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide?
The IUPAC name of N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide (CID 10279393) is N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide.
What is the SMILES notation for N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide?
The canonical SMILES for N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide is NCCCNCCCCNCCCNC(=O)CCCCC(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide?
The InChIKey is HDZLDJYGHBKTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58N8O2/c27-13-7-19-29-15-3-5-17-31-21-9-23-33-25(35)11-1-2-12-26(36)34-24-10-22-32-18-6-4-16-30-20-8-14-28/h29-32H,1-24,27-28H2,(H,33,35)(H,34,36).
What are the key properties of N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide?
N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide has a molecular weight of 514.80 g/mol, XLogP of 0.18, 29 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide is sourced from PubChem (CID 10279393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).