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

C4H14N8 — CID 57211337

IUPAC1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
SMILESNN=C(N)N(N)CCN=C(N)N
InChIInChI=1S/C4H14N8/c5-3(6)10-1-2-12(9)4(7)11-8/h1-2,8-9H2,(H2,7,11)(H4,5,6,10)
InChIKeyPTRWRZBXQSHWBO-UHFFFAOYSA-N
MW174.21 g/mol
LogP-3.38
Rot. Bonds3

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

1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine (PubChem CID 57211337) has the molecular formula C4H14N8 and a molecular weight of 174.21 g/mol. Its IUPAC name is 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine.

Molecular Properties

Compound Name1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
PubChem CID57211337
Molecular FormulaC4H14N8
Molecular Weight174.21 g/mol
Exact Mass174.13
IUPAC Name1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
SMILESNN=C(N)N(N)CCN=C(N)N
InChIInChI=1S/C4H14N8/c5-3(6)10-1-2-12(9)4(7)11-8/h1-2,8-9H2,(H2,7,11)(H4,5,6,10)
InChIKeyPTRWRZBXQSHWBO-UHFFFAOYSA-N
XLogP-3.38
TPSA158.06 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 5-3.38
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
2-Hydrazinyl-4,5-dihydroimidazol-1-amine
CID 15114691
1,2-Diamino-4,5-dihydro-imidazole hydrochloride
CID 18937940
1-Amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine
CID 21709402
(1-Hydrazinyl-4,5-dihydroimidazol-2-yl)hydrazine
CID 60207568
4,5-Dihydroimidazole-1,2,4-triamine
CID 140331358
4,5-Dihydroimidazole-1,2-diamine;dihydrochloride
CID 141013157
1-Amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine
CID 144561900
1-Amino-1-ethyl-2-methylguanidine
CID 151166246
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride
CID 173440206
1-Amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
CID 173440460
1-Amino-2-[2-(carbamohydrazonoylamino)ethyl]guanidine
CID 176534481

Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine?
The IUPAC name of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine (CID 57211337) is 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine.
What is the SMILES notation for 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine?
The canonical SMILES for 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine is NN=C(N)N(N)CCN=C(N)N.
What is the InChIKey of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine?
The InChIKey is PTRWRZBXQSHWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N8/c5-3(6)10-1-2-12(9)4(7)11-8/h1-2,8-9H2,(H2,7,11)(H4,5,6,10).
What are the key properties of 1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine?
1,2-diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine has a molecular weight of 174.21 g/mol, XLogP of -3.38, 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 is sourced from PubChem (CID 57211337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).