N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide

C13H30N4O — CID 24885815

IUPACN-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide
SMILESCC(=O)N(CCCN)CCCCCNCCCN
InChIInChI=1S/C13H30N4O/c1-13(18)17(12-6-8-15)11-4-2-3-9-16-10-5-7-14/h16H,2-12,14-15H2,1H3
InChIKeyNZMYQOCGRNOXBK-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.29
Rot. Bonds12

About N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide

N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide (PubChem CID 24885815) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide
PubChem CID24885815
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC NameN-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide
SMILESCC(=O)N(CCCN)CCCCCNCCCN
InChIInChI=1S/C13H30N4O/c1-13(18)17(12-6-8-15)11-4-2-3-9-16-10-5-7-14/h16H,2-12,14-15H2,1H3
InChIKeyNZMYQOCGRNOXBK-UHFFFAOYSA-N
XLogP0.29
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide?
The IUPAC name of N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide (CID 24885815) is N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide is CC(=O)N(CCCN)CCCCCNCCCN.
What is the InChIKey of N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide?
The InChIKey is NZMYQOCGRNOXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-13(18)17(12-6-8-15)11-4-2-3-9-16-10-5-7-14/h16H,2-12,14-15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide?
N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide has a molecular weight of 258.41 g/mol, XLogP of 0.29, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide is sourced from PubChem (CID 24885815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).