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

C15H36N8O2 — CID 59846980

IUPACN,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
SMILESNCCNCCNCCNC(=O)CC(=O)NCCNCCNCCN
InChIInChI=1S/C15H36N8O2/c16-1-3-18-5-7-20-9-11-22-14(24)13-15(25)23-12-10-21-8-6-19-4-2-17/h18-21H,1-13,16-17H2,(H,22,24)(H,23,25)
InChIKeyXWJUBVOJMADFIS-UHFFFAOYSA-N
MW360.51 g/mol
LogP-4.12
Rot. Bonds18

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

N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide (PubChem CID 59846980) has the molecular formula C15H36N8O2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
PubChem CID59846980
Molecular FormulaC15H36N8O2
Molecular Weight360.51 g/mol
Exact Mass360.30
IUPAC NameN,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
SMILESNCCNCCNCCNC(=O)CC(=O)NCCNCCNCCN
InChIInChI=1S/C15H36N8O2/c16-1-3-18-5-7-20-9-11-22-14(24)13-15(25)23-12-10-21-8-6-19-4-2-17/h18-21H,1-13,16-17H2,(H,22,24)(H,23,25)
InChIKeyXWJUBVOJMADFIS-UHFFFAOYSA-N
XLogP-4.12
TPSA158.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 5-4.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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-aminoethylamino)ethyl]propanediamide
CID 100925313
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-(2-aminoethylamino)ethylamino]ethyl]propanediamide?
The IUPAC name of N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide (CID 59846980) is N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide?
The canonical SMILES for N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide is NCCNCCNCCNC(=O)CC(=O)NCCNCCNCCN.
What is the InChIKey of N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide?
The InChIKey is XWJUBVOJMADFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N8O2/c16-1-3-18-5-7-20-9-11-22-14(24)13-15(25)23-12-10-21-8-6-19-4-2-17/h18-21H,1-13,16-17H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide?
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide has a molecular weight of 360.51 g/mol, XLogP of -4.12, 18 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide is sourced from PubChem (CID 59846980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).