N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide

C8H18N4O — CID 118617428

IUPACN-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide
SMILESCCN(C)CC/N=C(\N)NC(C)=O
InChIInChI=1S/C8H18N4O/c1-4-12(3)6-5-10-8(9)11-7(2)13/h4-6H2,1-3H3,(H3,9,10,11,13)
InChIKeyMENDVXUFLJRHTR-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.61
Rot. Bonds4

About N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide

N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide (PubChem CID 118617428) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide
PubChem CID118617428
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide
SMILESCCN(C)CC/N=C(\N)NC(C)=O
InChIInChI=1S/C8H18N4O/c1-4-12(3)6-5-10-8(9)11-7(2)13/h4-6H2,1-3H3,(H3,9,10,11,13)
InChIKeyMENDVXUFLJRHTR-UHFFFAOYSA-N
XLogP-0.61
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-imino-5-methyl-1,6-dihydro-1,3,5-triazepin-7-one
CID 137630722
2-Amino-3-methyl-1,4-dihydroimidazol-3-ium-5-one
CID 6971049
N-(1-methyl-4,5-dihydroimidazol-2-yl)acetamide
CID 13492718
2-(Dimethylamino)-1,4-dihydroimidazol-5-one
CID 15756617
N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide
CID 59110188
N-methyl-N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
CID 59110193
N-[2-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]propan-2-yl]acetamide
CID 59110202
N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
CID 59881371
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]acetamide
CID 62358626
2-(methylamino)-N-(N'-methylcarbamimidoyl)acetamide
CID 89704213
N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide
CID 90212346
N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide
CID 118616872

Frequently Asked Questions

What is the IUPAC name of N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide?
The IUPAC name of N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide (CID 118617428) is N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide is CCN(C)CC/N=C(\N)NC(C)=O.
What is the InChIKey of N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide?
The InChIKey is MENDVXUFLJRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-4-12(3)6-5-10-8(9)11-7(2)13/h4-6H2,1-3H3,(H3,9,10,11,13).
What are the key properties of N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide?
N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide has a molecular weight of 186.26 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide is sourced from PubChem (CID 118617428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).