1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine

C6H17N7 — CID 144561900

IUPAC1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)CCN(C)C
InChIInChI=1S/C6H17N7/c1-12(2)3-4-13(10)6(9)11-5(7)8/h3-4,10H2,1-2H3,(H5,7,8,9,11)
InChIKeyJOXCMIUABIZNQP-UHFFFAOYSA-N
MW187.25 g/mol
LogP-2.07
Rot. Bonds3

About 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine

1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine (PubChem CID 144561900) has the molecular formula C6H17N7 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine
PubChem CID144561900
Molecular FormulaC6H17N7
Molecular Weight187.25 g/mol
Exact Mass187.15
IUPAC Name1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)CCN(C)C
InChIInChI=1S/C6H17N7/c1-12(2)3-4-13(10)6(9)11-5(7)8/h3-4,10H2,1-2H3,(H5,7,8,9,11)
InChIKeyJOXCMIUABIZNQP-UHFFFAOYSA-N
XLogP-2.07
TPSA120.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
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'}

Analyze 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Methyl-4,5-dihydroimidazol-2-yl)hydrazine
CID 10396817
1-Methyl-2-(1-methylhydrazinyl)-4,5-dihydro-1H-imidazole
CID 22965548
2-N,2-N-dimethyl-4,5-dihydroimidazole-1,2-diamine
CID 22965558
1-Amino-2-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 22977219
1-Amino-1-[2-(dimethylamino)ethyl]guanidine
CID 55284938
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 57211337
1-Amino-1-[2-(diethylamino)ethyl]guanidine
CID 88441625
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
1-Amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine
CID 144561881
N-[amino-[amino-[2-(dimethylamino)ethyl]amino]methylidene]ethanethioamide
CID 144561942
1-[Carbamimidoyl(ethyl)amino]-2-methylguanidine
CID 151745026
2-[amino-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]-N,N-dimethylethanamine
CID 155130424

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine?
The IUPAC name of 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine (CID 144561900) is 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine?
The canonical SMILES for 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine is [H]/N=C(\N=C(N)N)N(N)CCN(C)C.
What is the InChIKey of 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine?
The InChIKey is JOXCMIUABIZNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N7/c1-12(2)3-4-13(10)6(9)11-5(7)8/h3-4,10H2,1-2H3,(H5,7,8,9,11).
What are the key properties of 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine?
1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine has a molecular weight of 187.25 g/mol, XLogP of -2.07, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine is sourced from PubChem (CID 144561900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).