1,2-diamino-1-ethylguanidine

C3H11N5 — CID 19966848

IUPAC1,2-diamino-1-ethylguanidine
SMILESCCN(N)/C(N)=N\N
InChIInChI=1S/C3H11N5/c1-2-8(6)3(4)7-5/h2,5-6H2,1H3,(H2,4,7)
InChIKeyIKCJLODFEPSDEL-UHFFFAOYSA-N
MW117.16 g/mol
LogP-1.63
Rot. Bonds1

About 1,2-diamino-1-ethylguanidine

1,2-diamino-1-ethylguanidine (PubChem CID 19966848) has the molecular formula C3H11N5 and a molecular weight of 117.16 g/mol. Its IUPAC name is 1,2-diamino-1-ethylguanidine.

Molecular Properties

Compound Name1,2-diamino-1-ethylguanidine
PubChem CID19966848
Molecular FormulaC3H11N5
Molecular Weight117.16 g/mol
Exact Mass117.10
IUPAC Name1,2-diamino-1-ethylguanidine
SMILESCCN(N)/C(N)=N\N
InChIInChI=1S/C3H11N5/c1-2-8(6)3(4)7-5/h2,5-6H2,1H3,(H2,4,7)
InChIKeyIKCJLODFEPSDEL-UHFFFAOYSA-N
XLogP-1.63
TPSA93.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Amino-ethylguanidine
CID 19819531
1-Amino-1-propylguanidine
CID 19879838
1-Ethyl-1-(ethylamino)guanidine
CID 20348552
1,2-Diamino-1-ethylguanidine
CID 53920496
1,2-Diamino-1-ethylguanidine
CID 55279274
1-Amino-1-[2-(dimethylamino)ethyl]guanidine
CID 55284938
1-Amino-1-propan-2-ylguanidine
CID 86084669
1-Amino-1-ethylguanidine;hydrochloride
CID 86084678
1-Amino-1-propylguanidine;hydrochloride
CID 86084681
1-Amino-1-(cyanomethyl)guanidine;formonitrile
CID 87969037
1-Amino-1-butylguanidine
CID 88441626
1,2,3-Triamino-1-propylguanidine
CID 89362319

Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-1-ethylguanidine?
The IUPAC name of 1,2-diamino-1-ethylguanidine (CID 19966848) is 1,2-diamino-1-ethylguanidine.
What is the SMILES notation for 1,2-diamino-1-ethylguanidine?
The canonical SMILES for 1,2-diamino-1-ethylguanidine is CCN(N)/C(N)=N\N.
What is the InChIKey of 1,2-diamino-1-ethylguanidine?
The InChIKey is IKCJLODFEPSDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N5/c1-2-8(6)3(4)7-5/h2,5-6H2,1H3,(H2,4,7).
What are the key properties of 1,2-diamino-1-ethylguanidine?
1,2-diamino-1-ethylguanidine has a molecular weight of 117.16 g/mol, XLogP of -1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-1-ethylguanidine is sourced from PubChem (CID 19966848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).