N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide

C9H20N4O — CID 59110193

IUPACN-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
SMILESC/N=C(/NC(C)N(C)C(C)=O)N(C)C
InChIInChI=1S/C9H20N4O/c1-7(13(6)8(2)14)11-9(10-3)12(4)5/h7H,1-6H3,(H,10,11)
InChIKeyJGZYNEHIBNZNBQ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.05
Rot. Bonds2

About N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide

N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide (PubChem CID 59110193) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
PubChem CID59110193
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
SMILESC/N=C(/NC(C)N(C)C(C)=O)N(C)C
InChIInChI=1S/C9H20N4O/c1-7(13(6)8(2)14)11-9(10-3)12(4)5/h7H,1-6H3,(H,10,11)
InChIKeyJGZYNEHIBNZNBQ-UHFFFAOYSA-N
XLogP-0.05
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The IUPAC name of N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide (CID 59110193) is N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The canonical SMILES for N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide is C/N=C(/NC(C)N(C)C(C)=O)N(C)C.
What is the InChIKey of N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The InChIKey is JGZYNEHIBNZNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7(13(6)8(2)14)11-9(10-3)12(4)5/h7H,1-6H3,(H,10,11).
What are the key properties of N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide has a molecular weight of 200.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide is sourced from PubChem (CID 59110193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).