1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine

C9H21N5 — CID 58112258

IUPAC1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C9H21N5/c1-10-8(12(2)3)11-9(13(4)5)14(6)7/h1-7H3/b10-8-
InChIKeyOJJGRPWXKUGIDT-NTMALXAHSA-N
MW199.30 g/mol
LogP0.01
Rot. Bonds

About 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine

1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine (PubChem CID 58112258) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
PubChem CID58112258
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C9H21N5/c1-10-8(12(2)3)11-9(13(4)5)14(6)7/h1-7H3/b10-8-
InChIKeyOJJGRPWXKUGIDT-NTMALXAHSA-N
XLogP0.01
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N,N'-trimethylcarbamimidoyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine (CID 58112258) is 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine is C/N=C(/N=C(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine?
The InChIKey is OJJGRPWXKUGIDT-NTMALXAHSA-N. The full InChI is InChI=1S/C9H21N5/c1-10-8(12(2)3)11-9(13(4)5)14(6)7/h1-7H3/b10-8-.
What are the key properties of 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine?
1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine is sourced from PubChem (CID 58112258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).