2-methyl-1-[tris(dimethylamino)methyl]guanidine

C9H24N6 — CID 57200602

IUPAC2-methyl-1-[tris(dimethylamino)methyl]guanidine
SMILESC/N=C(\N)NC(N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C9H24N6/c1-11-8(10)12-9(13(2)3,14(4)5)15(6)7/h1-7H3,(H3,10,11,12)
InChIKeyHELNAIJHVLSUNQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP-1.18
Rot. Bonds4

About 2-methyl-1-[tris(dimethylamino)methyl]guanidine

2-methyl-1-[tris(dimethylamino)methyl]guanidine (PubChem CID 57200602) has the molecular formula C9H24N6 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-methyl-1-[tris(dimethylamino)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[tris(dimethylamino)methyl]guanidine
PubChem CID57200602
Molecular FormulaC9H24N6
Molecular Weight216.33 g/mol
Exact Mass216.21
IUPAC Name2-methyl-1-[tris(dimethylamino)methyl]guanidine
SMILESC/N=C(\N)NC(N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C9H24N6/c1-11-8(10)12-9(13(2)3,14(4)5)15(6)7/h1-7H3,(H3,10,11,12)
InChIKeyHELNAIJHVLSUNQ-UHFFFAOYSA-N
XLogP-1.18
TPSA60.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2-methyl-1-[tris(dimethylamino)methyl]guanidine?
The IUPAC name of 2-methyl-1-[tris(dimethylamino)methyl]guanidine (CID 57200602) is 2-methyl-1-[tris(dimethylamino)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[tris(dimethylamino)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[tris(dimethylamino)methyl]guanidine is C/N=C(\N)NC(N(C)C)(N(C)C)N(C)C.
What is the InChIKey of 2-methyl-1-[tris(dimethylamino)methyl]guanidine?
The InChIKey is HELNAIJHVLSUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N6/c1-11-8(10)12-9(13(2)3,14(4)5)15(6)7/h1-7H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-[tris(dimethylamino)methyl]guanidine?
2-methyl-1-[tris(dimethylamino)methyl]guanidine has a molecular weight of 216.33 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[tris(dimethylamino)methyl]guanidine is sourced from PubChem (CID 57200602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).