1-[ethyl(methyl)amino]-1,2-dimethylguanidine

C6H16N4 — CID 21341304

IUPAC1-[ethyl(methyl)amino]-1,2-dimethylguanidine
SMILESCCN(C)N(C)/C(N)=N/C
InChIInChI=1S/C6H16N4/c1-5-9(3)10(4)6(7)8-2/h5H2,1-4H3,(H2,7,8)
InChIKeyRKUXFOIEYIYEGT-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.27
Rot. Bonds2

About 1-[ethyl(methyl)amino]-1,2-dimethylguanidine

1-[ethyl(methyl)amino]-1,2-dimethylguanidine (PubChem CID 21341304) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]-1,2-dimethylguanidine
PubChem CID21341304
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-[ethyl(methyl)amino]-1,2-dimethylguanidine
SMILESCCN(C)N(C)/C(N)=N/C
InChIInChI=1S/C6H16N4/c1-5-9(3)10(4)6(7)8-2/h5H2,1-4H3,(H2,7,8)
InChIKeyRKUXFOIEYIYEGT-UHFFFAOYSA-N
XLogP-0.27
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[ethyl(methyl)amino]-1,2-dimethylguanidine 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-Amino-1-ethyl-2-methylguanidine
CID 151166246
1-[[bis[(N'-ethylcarbamimidoyl)-methylamino]amino]-[(N'-ethylcarbamimidoyl)-methylamino]amino]-2-ethyl-1-methylguanidine
CID 152475884
1-Amino-1,2-diethylguanidine
CID 174270075

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)amino]-1,2-dimethylguanidine?
The IUPAC name of 1-[ethyl(methyl)amino]-1,2-dimethylguanidine (CID 21341304) is 1-[ethyl(methyl)amino]-1,2-dimethylguanidine.
What is the SMILES notation for 1-[ethyl(methyl)amino]-1,2-dimethylguanidine?
The canonical SMILES for 1-[ethyl(methyl)amino]-1,2-dimethylguanidine is CCN(C)N(C)/C(N)=N/C.
What is the InChIKey of 1-[ethyl(methyl)amino]-1,2-dimethylguanidine?
The InChIKey is RKUXFOIEYIYEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-5-9(3)10(4)6(7)8-2/h5H2,1-4H3,(H2,7,8).
What are the key properties of 1-[ethyl(methyl)amino]-1,2-dimethylguanidine?
1-[ethyl(methyl)amino]-1,2-dimethylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]-1,2-dimethylguanidine is sourced from PubChem (CID 21341304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).