3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide

C10H23N5O2 — CID 22621407

IUPAC3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide
SMILESNCCNCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C10H23N5O2/c11-3-4-14-5-8-15(6-1-9(12)16)7-2-10(13)17/h14H,1-8,11H2,(H2,12,16)(H2,13,17)
InChIKeyCGZUZCTUEFMYPC-UHFFFAOYSA-N
MW245.33 g/mol
LogP-2.41
Rot. Bonds11

About 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide

3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide (PubChem CID 22621407) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide
PubChem CID22621407
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC Name3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide
SMILESNCCNCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C10H23N5O2/c11-3-4-14-5-8-15(6-1-9(12)16)7-2-10(13)17/h14H,1-8,11H2,(H2,12,16)(H2,13,17)
InChIKeyCGZUZCTUEFMYPC-UHFFFAOYSA-N
XLogP-2.41
TPSA127.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide?
The IUPAC name of 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide (CID 22621407) is 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide.
What is the SMILES notation for 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide?
The canonical SMILES for 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide is NCCNCCN(CCC(N)=O)CCC(N)=O.
What is the InChIKey of 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide?
The InChIKey is CGZUZCTUEFMYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O2/c11-3-4-14-5-8-15(6-1-9(12)16)7-2-10(13)17/h14H,1-8,11H2,(H2,12,16)(H2,13,17).
What are the key properties of 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide?
3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide has a molecular weight of 245.33 g/mol, XLogP of -2.41, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide is sourced from PubChem (CID 22621407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).