1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride

C4H16Cl2N8 — CID 173440206

IUPAC1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride
SMILESCl.Cl.NN=C(N)N(N)CCN=C(N)N
InChIInChI=1S/C4H14N8.2ClH/c5-3(6)10-1-2-12(9)4(7)11-8;;/h1-2,8-9H2,(H2,7,11)(H4,5,6,10);2*1H
InChIKeyXDIBYIALEXKMRQ-UHFFFAOYSA-N
MW247.13 g/mol
LogP-2.53
Rot. Bonds3

About 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride

1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride (PubChem CID 173440206) has the molecular formula C4H16Cl2N8 and a molecular weight of 247.13 g/mol. Its IUPAC name is 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride
PubChem CID173440206
Molecular FormulaC4H16Cl2N8
Molecular Weight247.13 g/mol
Exact Mass246.09
IUPAC Name1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride
SMILESCl.Cl.NN=C(N)N(N)CCN=C(N)N
InChIInChI=1S/C4H14N8.2ClH/c5-3(6)10-1-2-12(9)4(7)11-8;;/h1-2,8-9H2,(H2,7,11)(H4,5,6,10);2*1H
InChIKeyXDIBYIALEXKMRQ-UHFFFAOYSA-N
XLogP-2.53
TPSA158.06 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 5-2.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-Dihydroimidazole-1,2-diamine
CID 9833935
1,2-Diamino-4,5-dihydro-imidazole hydrochloride
CID 18937940
1-Amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine
CID 21709402
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 57211337
4,5-Dihydroimidazole-1,2-diamine;dihydrochloride
CID 141013157
1-Amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
CID 173440460
1,1-Bis(2-hydrazinyl-4,5-dihydroimidazol-1-yl)hydrazine
CID 60207566

Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride?
The IUPAC name of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride (CID 173440206) is 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride.
What is the SMILES notation for 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride?
The canonical SMILES for 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride is Cl.Cl.NN=C(N)N(N)CCN=C(N)N.
What is the InChIKey of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride?
The InChIKey is XDIBYIALEXKMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N8.2ClH/c5-3(6)10-1-2-12(9)4(7)11-8;;/h1-2,8-9H2,(H2,7,11)(H4,5,6,10);2*1H.
What are the key properties of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride?
1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride has a molecular weight of 247.13 g/mol, XLogP of -2.53, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride is sourced from PubChem (CID 173440206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).