2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine

C7H20N6 — CID 11355939

IUPAC2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine
SMILESNCCNCCNCCN=C(N)N
InChIInChI=1S/C7H20N6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h11-12H,1-6,8H2,(H4,9,10,13)
InChIKeyYHOFOXYUAQFIII-UHFFFAOYSA-N
MW188.28 g/mol
LogP-2.60
Rot. Bonds8

About 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine

2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine (PubChem CID 11355939) has the molecular formula C7H20N6 and a molecular weight of 188.28 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine
PubChem CID11355939
Molecular FormulaC7H20N6
Molecular Weight188.28 g/mol
Exact Mass188.17
IUPAC Name2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine
SMILESNCCNCCNCCN=C(N)N
InChIInChI=1S/C7H20N6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h11-12H,1-6,8H2,(H4,9,10,13)
InChIKeyYHOFOXYUAQFIII-UHFFFAOYSA-N
XLogP-2.60
TPSA114.48 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylimino]propanoic acid
CID 101181873
2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
CID 59649171
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
2-(4-aminobutyl)guanidine
CID 22560045
N'-[2-[2-[2-(aminodiazenyl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 118629306
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine?
The IUPAC name of 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine (CID 11355939) is 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine?
The canonical SMILES for 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine is NCCNCCNCCN=C(N)N.
What is the InChIKey of 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine?
The InChIKey is YHOFOXYUAQFIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h11-12H,1-6,8H2,(H4,9,10,13).
What are the key properties of 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine?
2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine has a molecular weight of 188.28 g/mol, XLogP of -2.60, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine is sourced from PubChem (CID 11355939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).