N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide

C8H18N4O — CID 103111134

IUPACN-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESCCN(C)C(=O)C(C)N/C(N)=N/C
InChIInChI=1S/C8H18N4O/c1-5-12(4)7(13)6(2)11-8(9)10-3/h6H,5H2,1-4H3,(H3,9,10,11)
InChIKeyFXBAURWTNRTJMH-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.61
Rot. Bonds3

About N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide

N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide (PubChem CID 103111134) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
PubChem CID103111134
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESCCN(C)C(=O)C(C)N/C(N)=N/C
InChIInChI=1S/C8H18N4O/c1-5-12(4)7(13)6(2)11-8(9)10-3/h6H,5H2,1-4H3,(H3,9,10,11)
InChIKeyFXBAURWTNRTJMH-UHFFFAOYSA-N
XLogP-0.61
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide (CID 103111134) is N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide is CCN(C)C(=O)C(C)N/C(N)=N/C.
What is the InChIKey of N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
The InChIKey is FXBAURWTNRTJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-5-12(4)7(13)6(2)11-8(9)10-3/h6H,5H2,1-4H3,(H3,9,10,11).
What are the key properties of N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide has a molecular weight of 186.26 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(N'-methylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 103111134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).