3-[3-(3-aminopropylamino)propylamino]propanamide

C9H22N4O — CID 87496464

IUPAC3-[3-(3-aminopropylamino)propylamino]propanamide
SMILESNCCCNCCCNCCC(N)=O
InChIInChI=1S/C9H22N4O/c10-4-1-5-12-6-2-7-13-8-3-9(11)14/h12-13H,1-8,10H2,(H2,11,14)
InChIKeyPEEPZSMFZLGZLS-UHFFFAOYSA-N
MW202.30 g/mol
LogP-1.22
Rot. Bonds10

About 3-[3-(3-aminopropylamino)propylamino]propanamide

3-[3-(3-aminopropylamino)propylamino]propanamide (PubChem CID 87496464) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[3-(3-aminopropylamino)propylamino]propanamide.

Molecular Properties

Compound Name3-[3-(3-aminopropylamino)propylamino]propanamide
PubChem CID87496464
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-[3-(3-aminopropylamino)propylamino]propanamide
SMILESNCCCNCCCNCCC(N)=O
InChIInChI=1S/C9H22N4O/c10-4-1-5-12-6-2-7-13-8-3-9(11)14/h12-13H,1-8,10H2,(H2,11,14)
InChIKeyPEEPZSMFZLGZLS-UHFFFAOYSA-N
XLogP-1.22
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(3-aminopropylamino)propylamino]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
2-(3-aminopropylamino)acetamide
CID 59908103
3-(5-hydroxypentylamino)propanamide
CID 62227149
3-(aminomethylamino)propanamide
CID 123274483
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
N'-[3-(3-aminopropylamino)propyl]oxamide
CID 71347825
3-(3-cyanopropylamino)propanamide
CID 43553561
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
3-(hex-5-ynylamino)propanamide
CID 106211456
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
4-(propylamino)butanamide
CID 21468794
3-(3-ethylsulfanylpropylamino)propanamide
CID 104586816

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropylamino)propylamino]propanamide?
The IUPAC name of 3-[3-(3-aminopropylamino)propylamino]propanamide (CID 87496464) is 3-[3-(3-aminopropylamino)propylamino]propanamide.
What is the SMILES notation for 3-[3-(3-aminopropylamino)propylamino]propanamide?
The canonical SMILES for 3-[3-(3-aminopropylamino)propylamino]propanamide is NCCCNCCCNCCC(N)=O.
What is the InChIKey of 3-[3-(3-aminopropylamino)propylamino]propanamide?
The InChIKey is PEEPZSMFZLGZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c10-4-1-5-12-6-2-7-13-8-3-9(11)14/h12-13H,1-8,10H2,(H2,11,14).
What are the key properties of 3-[3-(3-aminopropylamino)propylamino]propanamide?
3-[3-(3-aminopropylamino)propylamino]propanamide has a molecular weight of 202.30 g/mol, XLogP of -1.22, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropylamino)propylamino]propanamide is sourced from PubChem (CID 87496464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).