N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide

C11H26N4O — CID 10176991

IUPACN-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
SMILESCC(=O)NCCCNCCCNCCCN
InChIInChI=1S/C11H26N4O/c1-11(16)15-10-4-9-14-8-3-7-13-6-2-5-12/h13-14H,2-10,12H2,1H3,(H,15,16)
InChIKeyKVEKXEZMTGKEJV-UHFFFAOYSA-N
MW230.36 g/mol
LogP-0.57
Rot. Bonds11

About N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide

N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide (PubChem CID 10176991) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
PubChem CID10176991
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC NameN-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
SMILESCC(=O)NCCCNCCCNCCCN
InChIInChI=1S/C11H26N4O/c1-11(16)15-10-4-9-14-8-3-7-13-6-2-5-12/h13-14H,2-10,12H2,1H3,(H,15,16)
InChIKeyKVEKXEZMTGKEJV-UHFFFAOYSA-N
XLogP-0.57
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[3-(3-aminopropylamino)propylamino]propyl]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-[3-(3-aminopropylamino)propylamino]propyl]acetamide?
The IUPAC name of N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide (CID 10176991) is N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide?
The canonical SMILES for N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide is CC(=O)NCCCNCCCNCCCN.
What is the InChIKey of N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide?
The InChIKey is KVEKXEZMTGKEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-11(16)15-10-4-9-14-8-3-7-13-6-2-5-12/h13-14H,2-10,12H2,1H3,(H,15,16).
What are the key properties of N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide?
N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide has a molecular weight of 230.36 g/mol, XLogP of -0.57, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide is sourced from PubChem (CID 10176991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).