3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide

C9H20N4O2 — CID 23422454

IUPAC3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide
SMILESNC(=O)CCNCCCNCCC(N)=O
InChIInChI=1S/C9H20N4O2/c10-8(14)2-6-12-4-1-5-13-7-3-9(11)15/h12-13H,1-7H2,(H2,10,14)(H2,11,15)
InChIKeyWKMQTZNMPKWCIF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.69
Rot. Bonds10

About 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide

3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide (PubChem CID 23422454) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide.

Molecular Properties

Compound Name3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide
PubChem CID23422454
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide
SMILESNC(=O)CCNCCCNCCC(N)=O
InChIInChI=1S/C9H20N4O2/c10-8(14)2-6-12-4-1-5-13-7-3-9(11)15/h12-13H,1-7H2,(H2,10,14)(H2,11,15)
InChIKeyWKMQTZNMPKWCIF-UHFFFAOYSA-N
XLogP-1.69
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.69
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 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide?
The IUPAC name of 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide (CID 23422454) is 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide.
What is the SMILES notation for 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide?
The canonical SMILES for 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide is NC(=O)CCNCCCNCCC(N)=O.
What is the InChIKey of 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide?
The InChIKey is WKMQTZNMPKWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c10-8(14)2-6-12-4-1-5-13-7-3-9(11)15/h12-13H,1-7H2,(H2,10,14)(H2,11,15).
What are the key properties of 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide?
3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide has a molecular weight of 216.28 g/mol, XLogP of -1.69, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-amino-3-oxopropyl)amino]propylamino]propanamide is sourced from PubChem (CID 23422454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).