1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine

C15H36N9P — CID 91478563

IUPAC1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine
SMILESC/N=C(\N(C)C)N(C)P(N(C)/C(=N/C)N(C)C)N(C)/C(=N/C)N(C)C
InChIInChI=1S/C15H36N9P/c1-16-13(19(4)5)22(10)25(23(11)14(17-2)20(6)7)24(12)15(18-3)21(8)9/h1-12H3/b16-13+,17-14+,18-15+
InChIKeyOJKQQVCOCVEWDY-NLCRRHETSA-N
MW373.49 g/mol
LogP0.65
Rot. Bonds3

About 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine

1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine (PubChem CID 91478563) has the molecular formula C15H36N9P and a molecular weight of 373.49 g/mol. Its IUPAC name is 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine.

Molecular Properties

Compound Name1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine
PubChem CID91478563
Molecular FormulaC15H36N9P
Molecular Weight373.49 g/mol
Exact Mass373.28
IUPAC Name1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine
SMILESC/N=C(\N(C)C)N(C)P(N(C)/C(=N/C)N(C)C)N(C)/C(=N/C)N(C)C
InChIInChI=1S/C15H36N9P/c1-16-13(19(4)5)22(10)25(23(11)14(17-2)20(6)7)24(12)15(18-3)21(8)9/h1-12H3/b16-13+,17-14+,18-15+
InChIKeyOJKQQVCOCVEWDY-NLCRRHETSA-N
XLogP0.65
TPSA56.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine?
The IUPAC name of 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine (CID 91478563) is 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine.
What is the SMILES notation for 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine?
The canonical SMILES for 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine is C/N=C(\N(C)C)N(C)P(N(C)/C(=N/C)N(C)C)N(C)/C(=N/C)N(C)C.
What is the InChIKey of 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine?
The InChIKey is OJKQQVCOCVEWDY-NLCRRHETSA-N. The full InChI is InChI=1S/C15H36N9P/c1-16-13(19(4)5)22(10)25(23(11)14(17-2)20(6)7)24(12)15(18-3)21(8)9/h1-12H3/b16-13+,17-14+,18-15+.
What are the key properties of 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine?
1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine has a molecular weight of 373.49 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine is sourced from PubChem (CID 91478563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).