1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine

C8H20N6 — CID 148897380

IUPAC1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine
SMILESC/N=C(\N)NCN=C(N(C)C)N(C)C
InChIInChI=1S/C8H20N6/c1-10-7(9)11-6-12-8(13(2)3)14(4)5/h6H2,1-5H3,(H3,9,10,11)
InChIKeyPGCVYMBVTFSDEY-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.04
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine

1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine (PubChem CID 148897380) has the molecular formula C8H20N6 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine
PubChem CID148897380
Molecular FormulaC8H20N6
Molecular Weight200.29 g/mol
Exact Mass200.17
IUPAC Name1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine
SMILESC/N=C(\N)NCN=C(N(C)C)N(C)C
InChIInChI=1S/C8H20N6/c1-10-7(9)11-6-12-8(13(2)3)14(4)5/h6H2,1-5H3,(H3,9,10,11)
InChIKeyPGCVYMBVTFSDEY-UHFFFAOYSA-N
XLogP-1.04
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.04
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 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine (CID 148897380) is 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine is C/N=C(\N)NCN=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine?
The InChIKey is PGCVYMBVTFSDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6/c1-10-7(9)11-6-12-8(13(2)3)14(4)5/h6H2,1-5H3,(H3,9,10,11).
What are the key properties of 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine?
1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine has a molecular weight of 200.29 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine is sourced from PubChem (CID 148897380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).