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

C12H28N4O — CID 916

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide
SMILESCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKeyGUNURVWAJRRUAV-UHFFFAOYSA-N
MW244.38 g/mol
LogP-0.18
Rot. Bonds12

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

N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide (PubChem CID 916) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide
PubChem CID916
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide
SMILESCC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKeyGUNURVWAJRRUAV-UHFFFAOYSA-N
XLogP-0.18
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-0.18
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 N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide (CID 916) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide is CC(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide?
The InChIKey is GUNURVWAJRRUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide has a molecular weight of 244.38 g/mol, XLogP of -0.18, 12 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]acetamide is sourced from PubChem (CID 916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).