N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide

C8H18N4O — CID 59110188

IUPACN-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide
SMILESC/N=C(\NC)NC(C)N(C)C(C)=O
InChIInChI=1S/C8H18N4O/c1-6(12(5)7(2)13)11-8(9-3)10-4/h6H,1-5H3,(H2,9,10,11)
InChIKeyWMCIOKUKJWTYFZ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.39
Rot. Bonds2

About N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide

N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide (PubChem CID 59110188) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide
PubChem CID59110188
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide
SMILESC/N=C(\NC)NC(C)N(C)C(C)=O
InChIInChI=1S/C8H18N4O/c1-6(12(5)7(2)13)11-8(9-3)10-4/h6H,1-5H3,(H2,9,10,11)
InChIKeyWMCIOKUKJWTYFZ-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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Related Compounds

N-(1-Methyl-4-oxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)acetamide
CID 13361919
N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide
CID 18674790
N-(3-ethyl-6-oxo-1,2-dihydro-1,3,5-triazin-4-yl)acetamide
CID 20442137
N-(6-oxo-3-propyl-1,2-dihydro-1,3,5-triazin-4-yl)acetamide
CID 20442183
N-[(diacetamidomethylideneamino)methyl]acetamide
CID 20755819
N-[3-amino-1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)propyl]acetamide
CID 57309625
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-methyl-N-[1-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
CID 59110203
N-[1-[(N,N,N'-trimethylcarbamimidoyl)amino]ethyl]acetamide
CID 59881371
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]acetamide
CID 62358626
N-[1-(diaminomethylideneamino)ethyl]acetamide
CID 88609974

Frequently Asked Questions

What is the IUPAC name of N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide?
The IUPAC name of N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide (CID 59110188) is N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide is C/N=C(\NC)NC(C)N(C)C(C)=O.
What is the InChIKey of N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide?
The InChIKey is WMCIOKUKJWTYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6(12(5)7(2)13)11-8(9-3)10-4/h6H,1-5H3,(H2,9,10,11).
What are the key properties of N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide?
N-[1-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide 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'-dimethylcarbamimidoyl)amino]ethyl]-N-methylacetamide is sourced from PubChem (CID 59110188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).