1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine

C13H21N5 — CID 20543789

IUPAC1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)/C(N)=N/c1c(C)cccc1C
InChIInChI=1S/C13H21N5/c1-9-7-6-8-10(2)11(9)17-12(14)18(5)13(15-3)16-4/h6-8H,1-5H3,(H2,14,17)(H,15,16)
InChIKeyYKFPVBHLSRBZDC-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.39
Rot. Bonds1

About 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine

1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine (PubChem CID 20543789) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine.

Molecular Properties

Compound Name1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine
PubChem CID20543789
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)/C(N)=N/c1c(C)cccc1C
InChIInChI=1S/C13H21N5/c1-9-7-6-8-10(2)11(9)17-12(14)18(5)13(15-3)16-4/h6-8H,1-5H3,(H2,14,17)(H,15,16)
InChIKeyYKFPVBHLSRBZDC-UHFFFAOYSA-N
XLogP1.39
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine?
The IUPAC name of 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine (CID 20543789) is 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine.
What is the SMILES notation for 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine?
The canonical SMILES for 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine is C/N=C(\NC)N(C)/C(N)=N/c1c(C)cccc1C.
What is the InChIKey of 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine?
The InChIKey is YKFPVBHLSRBZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-7-6-8-10(2)11(9)17-12(14)18(5)13(15-3)16-4/h6-8H,1-5H3,(H2,14,17)(H,15,16).
What are the key properties of 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine?
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine has a molecular weight of 247.35 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine is sourced from PubChem (CID 20543789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).