N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide

C14H32N4O — CID 14806341

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide
SMILESCCCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C14H32N4O/c1-2-7-14(19)18-13-6-12-17-10-4-3-9-16-11-5-8-15/h16-17H,2-13,15H2,1H3,(H,18,19)
InChIKeyYEHCADPIXAIXBL-UHFFFAOYSA-N
MW272.44 g/mol
LogP0.60
Rot. Bonds14

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide (PubChem CID 14806341) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide
PubChem CID14806341
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide
SMILESCCCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C14H32N4O/c1-2-7-14(19)18-13-6-12-17-10-4-3-9-16-11-5-8-15/h16-17H,2-13,15H2,1H3,(H,18,19)
InChIKeyYEHCADPIXAIXBL-UHFFFAOYSA-N
XLogP0.60
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 50.60
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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Related Compounds

N1-Acetylspermine
CID 916
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N1,N12-Diacetylspermine
CID 132680
N-butylbutanamide
CID 347960
N(1)-acetylsperminium(3+)
CID 25201943
3-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 9816969
N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide
CID 10299866
N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 44346880
Butanamide, N-(2-methylpropyl)-
CID 346250
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N8-Acetylspermidine dihydrochloride
CID 214847

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide (CID 14806341) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide is CCCC(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide?
The InChIKey is YEHCADPIXAIXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-2-7-14(19)18-13-6-12-17-10-4-3-9-16-11-5-8-15/h16-17H,2-13,15H2,1H3,(H,18,19).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide has a molecular weight of 272.44 g/mol, XLogP of 0.60, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanamide is sourced from PubChem (CID 14806341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).