N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine

C12H40N10 — CID 173211804

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine
SMILESC=C=N.NCCN.NCCN.NCCN.NCCNCCN
InChIInChI=1S/C4H13N3.3C2H8N2.C2H3N/c5-1-3-7-4-2-6;3*3-1-2-4;1-2-3/h7H,1-6H2;3*1-4H2;3H,1H2
InChIKeyUHQFFKHCVVNKSA-UHFFFAOYSA-N
MW324.52 g/mol
LogP-4.37
Rot. Bonds7

About N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine

N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine (PubChem CID 173211804) has the molecular formula C12H40N10 and a molecular weight of 324.52 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine
PubChem CID173211804
Molecular FormulaC12H40N10
Molecular Weight324.52 g/mol
Exact Mass324.34
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine
SMILESC=C=N.NCCN.NCCN.NCCN.NCCNCCN
InChIInChI=1S/C4H13N3.3C2H8N2.C2H3N/c5-1-3-7-4-2-6;3*3-1-2-4;1-2-3/h7H,1-6H2;3*1-4H2;3H,1H2
InChIKeyUHQFFKHCVVNKSA-UHFFFAOYSA-N
XLogP-4.37
TPSA244.04 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.52
LogP ≤ 5-4.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
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
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-fluoroethyl)ethane-1,2-diamine
CID 80696987
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-(2-bromoethyl)ethane-1,2-diamine
CID 11788500
dodecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;tetraborate
CID 159570968

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine (CID 173211804) is N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine is C=C=N.NCCN.NCCN.NCCN.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine?
The InChIKey is UHQFFKHCVVNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.3C2H8N2.C2H3N/c5-1-3-7-4-2-6;3*3-1-2-4;1-2-3/h7H,1-6H2;3*1-4H2;3H,1H2.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine?
N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine has a molecular weight of 324.52 g/mol, XLogP of -4.37, 7 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;tris(ethane-1,2-diamine);ethenimine is sourced from PubChem (CID 173211804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).