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

C24H54N8O2 — CID 10299866

IUPACN,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide
SMILESNCCCNCCCCNCCCNC(=O)CCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C24H54N8O2/c25-11-5-17-27-13-1-3-15-29-19-7-21-31-23(33)9-10-24(34)32-22-8-20-30-16-4-2-14-28-18-6-12-26/h27-30H,1-22,25-26H2,(H,31,33)(H,32,34)
InChIKeyPMFJDPBDPBRLTA-UHFFFAOYSA-N
MW486.75 g/mol
LogP-0.60
Rot. Bonds27

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

N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide (PubChem CID 10299866) has the molecular formula C24H54N8O2 and a molecular weight of 486.75 g/mol. Its IUPAC name is N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide
PubChem CID10299866
Molecular FormulaC24H54N8O2
Molecular Weight486.75 g/mol
Exact Mass486.44
IUPAC NameN,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide
SMILESNCCCNCCCCNCCCNC(=O)CCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C24H54N8O2/c25-11-5-17-27-13-1-3-15-29-19-7-21-31-23(33)9-10-24(34)32-22-8-20-30-16-4-2-14-28-18-6-12-26/h27-30H,1-22,25-26H2,(H,31,33)(H,32,34)
InChIKeyPMFJDPBDPBRLTA-UHFFFAOYSA-N
XLogP-0.60
TPSA158.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 5-0.60
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]butanediamide?
The IUPAC name of N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide (CID 10299866) is N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide.
What is the SMILES notation for N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide?
The canonical SMILES for N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide is NCCCNCCCCNCCCNC(=O)CCC(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide?
The InChIKey is PMFJDPBDPBRLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N8O2/c25-11-5-17-27-13-1-3-15-29-19-7-21-31-23(33)9-10-24(34)32-22-8-20-30-16-4-2-14-28-18-6-12-26/h27-30H,1-22,25-26H2,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide?
N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide has a molecular weight of 486.75 g/mol, XLogP of -0.60, 27 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]butanediamide is sourced from PubChem (CID 10299866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).