2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride

C6H19Cl2N7 — CID 56843687

IUPAC2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCNCCN=C(N)N
InChIInChI=1S/C6H17N7.2ClH/c7-5(8)12-3-1-11-2-4-13-6(9)10;;/h11H,1-4H2,(H4,7,8,12)(H4,9,10,13);2*1H
InChIKeyAEVRMGYWAIGJIX-UHFFFAOYSA-N
MW260.17 g/mol
LogP-2.03
Rot. Bonds6

About 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride

2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride (PubChem CID 56843687) has the molecular formula C6H19Cl2N7 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
PubChem CID56843687
Molecular FormulaC6H19Cl2N7
Molecular Weight260.17 g/mol
Exact Mass259.11
IUPAC Name2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCNCCN=C(N)N
InChIInChI=1S/C6H17N7.2ClH/c7-5(8)12-3-1-11-2-4-13-6(9)10;;/h11H,1-4H2,(H4,7,8,12)(H4,9,10,13);2*1H
InChIKeyAEVRMGYWAIGJIX-UHFFFAOYSA-N
XLogP-2.03
TPSA140.83 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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-(2-aminoethylamino)ethylamino]ethyl]guanidine
CID 11355939
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
CID 59649171
2-[2-(1-aminoethylamino)ethyl]guanidine
CID 174332333
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
CID 20567703
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
2-[(3S)-3-hydroxy-4-oxobutyl]guanidine
CID 167028797
2-[2-(pyrimidin-2-ylamino)ethyl]guanidine
CID 130723153
2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine
CID 123500215
2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine
CID 46845149

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride?
The IUPAC name of 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride (CID 56843687) is 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride?
The canonical SMILES for 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride is Cl.Cl.NC(N)=NCCNCCN=C(N)N.
What is the InChIKey of 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride?
The InChIKey is AEVRMGYWAIGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N7.2ClH/c7-5(8)12-3-1-11-2-4-13-6(9)10;;/h11H,1-4H2,(H4,7,8,12)(H4,9,10,13);2*1H.
What are the key properties of 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride?
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride has a molecular weight of 260.17 g/mol, XLogP of -2.03, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride is sourced from PubChem (CID 56843687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).