N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide

C11H26N6O2 — CID 100925313

IUPACN,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
SMILESNCCNCCNC(=O)CC(=O)NCCNCCN
InChIInChI=1S/C11H26N6O2/c12-1-3-14-5-7-16-10(18)9-11(19)17-8-6-15-4-2-13/h14-15H,1-9,12-13H2,(H,16,18)(H,17,19)
InChIKeyMFLRVWBYHUFTRG-UHFFFAOYSA-N
MW274.37 g/mol
LogP-3.29
Rot. Bonds12

About N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide

N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide (PubChem CID 100925313) has the molecular formula C11H26N6O2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
PubChem CID100925313
Molecular FormulaC11H26N6O2
Molecular Weight274.37 g/mol
Exact Mass274.21
IUPAC NameN,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
SMILESNCCNCCNC(=O)CC(=O)NCCNCCN
InChIInChI=1S/C11H26N6O2/c12-1-3-14-5-7-16-10(18)9-11(19)17-8-6-15-4-2-13/h14-15H,1-9,12-13H2,(H,16,18)(H,17,19)
InChIKeyMFLRVWBYHUFTRG-UHFFFAOYSA-N
XLogP-3.29
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.37
LogP ≤ 5-3.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
CID 71344394
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide?
The IUPAC name of N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide (CID 100925313) is N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide?
The canonical SMILES for N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide is NCCNCCNC(=O)CC(=O)NCCNCCN.
What is the InChIKey of N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide?
The InChIKey is MFLRVWBYHUFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N6O2/c12-1-3-14-5-7-16-10(18)9-11(19)17-8-6-15-4-2-13/h14-15H,1-9,12-13H2,(H,16,18)(H,17,19).
What are the key properties of N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide?
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide has a molecular weight of 274.37 g/mol, XLogP of -3.29, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide is sourced from PubChem (CID 100925313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).