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

C8H18N4O — CID 59881371

IUPACN-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
SMILESC/N=C(/NC(C)NC(C)=O)N(C)C
InChIInChI=1S/C8H18N4O/c1-6(10-7(2)13)11-8(9-3)12(4)5/h6H,1-5H3,(H,9,11)(H,10,13)
InChIKeyLUKJZSLTWHDSFR-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.39
Rot. Bonds2

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

N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide (PubChem CID 59881371) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
PubChem CID59881371
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
SMILESC/N=C(/NC(C)NC(C)=O)N(C)C
InChIInChI=1S/C8H18N4O/c1-6(10-7(2)13)11-8(9-3)12(4)5/h6H,1-5H3,(H,9,11)(H,10,13)
InChIKeyLUKJZSLTWHDSFR-UHFFFAOYSA-N
XLogP-0.39
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
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-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The IUPAC name of N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide (CID 59881371) is N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The canonical SMILES for N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide is C/N=C(/NC(C)NC(C)=O)N(C)C.
What is the InChIKey of N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
The InChIKey is LUKJZSLTWHDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6(10-7(2)13)11-8(9-3)12(4)5/h6H,1-5H3,(H,9,11)(H,10,13).
What are the key properties of N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide?
N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide has a molecular weight of 186.26 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide is sourced from PubChem (CID 59881371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).