1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine

C6H16N6 — CID 54437099

IUPAC1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NN/C(=N/C)NC
InChIInChI=1S/C6H16N6/c1-7-5(8-2)11-12-6(9-3)10-4/h1-4H3,(H2,7,8,11)(H2,9,10,12)
InChIKeyWLMWHUKFSCDNOP-UHFFFAOYSA-N
MW172.24 g/mol
LogP-1.51
Rot. Bonds

About 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine

1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine (PubChem CID 54437099) has the molecular formula C6H16N6 and a molecular weight of 172.24 g/mol. Its IUPAC name is 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine
PubChem CID54437099
Molecular FormulaC6H16N6
Molecular Weight172.24 g/mol
Exact Mass172.14
IUPAC Name1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NN/C(=N/C)NC
InChIInChI=1S/C6H16N6/c1-7-5(8-2)11-12-6(9-3)10-4/h1-4H3,(H2,7,8,11)(H2,9,10,12)
InChIKeyWLMWHUKFSCDNOP-UHFFFAOYSA-N
XLogP-1.51
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine?
The IUPAC name of 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine (CID 54437099) is 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine is C/N=C(\NC)NN/C(=N/C)NC.
What is the InChIKey of 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine?
The InChIKey is WLMWHUKFSCDNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6/c1-7-5(8-2)11-12-6(9-3)10-4/h1-4H3,(H2,7,8,11)(H2,9,10,12).
What are the key properties of 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine?
1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine has a molecular weight of 172.24 g/mol, XLogP of -1.51, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N,N'-dimethylcarbamimidoyl)amino]-2,3-dimethylguanidine is sourced from PubChem (CID 54437099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).