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

C10H22N4O — CID 59110203

IUPACN-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
SMILESC/N=C(\N(C)C)N(C)C(C)N(C)C(C)=O
InChIInChI=1S/C10H22N4O/c1-8(13(6)9(2)15)14(7)10(11-3)12(4)5/h8H,1-7H3/b11-10+
InChIKeyCHIYLCSKZPMBPR-ZHACJKMWSA-N
MW214.31 g/mol
LogP0.29
Rot. Bonds2

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

N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide (PubChem CID 59110203) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
PubChem CID59110203
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
SMILESC/N=C(\N(C)C)N(C)C(C)N(C)C(C)=O
InChIInChI=1S/C10H22N4O/c1-8(13(6)9(2)15)14(7)10(11-3)12(4)5/h8H,1-7H3/b11-10+
InChIKeyCHIYLCSKZPMBPR-ZHACJKMWSA-N
XLogP0.29
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.29
H-Bond Donors ≤ 50
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-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The IUPAC name of N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide (CID 59110203) is N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The canonical SMILES for N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide is C/N=C(\N(C)C)N(C)C(C)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The InChIKey is CHIYLCSKZPMBPR-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(13(6)9(2)15)14(7)10(11-3)12(4)5/h8H,1-7H3/b11-10+.
What are the key properties of N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide is sourced from PubChem (CID 59110203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).