1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine

C6H15N5 — CID 86292533

IUPAC1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine
SMILES[H]/N=C(\N(C)C)N(C)/C(N)=N/C
InChIInChI=1S/C6H15N5/c1-9-5(7)11(4)6(8)10(2)3/h8H,1-4H3,(H2,7,9)/b8-6+
InChIKeyRQYHBPZUBLRACU-SOFGYWHQSA-N
MW157.22 g/mol
LogP-0.64
Rot. Bonds

About 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine

1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine (PubChem CID 86292533) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine
PubChem CID86292533
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine
SMILES[H]/N=C(\N(C)C)N(C)/C(N)=N/C
InChIInChI=1S/C6H15N5/c1-9-5(7)11(4)6(8)10(2)3/h8H,1-4H3,(H2,7,9)/b8-6+
InChIKeyRQYHBPZUBLRACU-SOFGYWHQSA-N
XLogP-0.64
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.64
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 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine (CID 86292533) is 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine is [H]/N=C(\N(C)C)N(C)/C(N)=N/C.
What is the InChIKey of 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is RQYHBPZUBLRACU-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H15N5/c1-9-5(7)11(4)6(8)10(2)3/h8H,1-4H3,(H2,7,9)/b8-6+.
What are the key properties of 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine?
1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 86292533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).