N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide

C9H20N4O — CID 62358434

IUPACN,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESCCN(CC)C(=O)CCN/C(N)=N/C
InChIInChI=1S/C9H20N4O/c1-4-13(5-2)8(14)6-7-12-9(10)11-3/h4-7H2,1-3H3,(H3,10,11,12)
InChIKeyWYDUTHHTBDFJAI-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.22
Rot. Bonds5

About N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide

N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide (PubChem CID 62358434) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
PubChem CID62358434
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESCCN(CC)C(=O)CCN/C(N)=N/C
InChIInChI=1S/C9H20N4O/c1-4-13(5-2)8(14)6-7-12-9(10)11-3/h4-7H2,1-3H3,(H3,10,11,12)
InChIKeyWYDUTHHTBDFJAI-UHFFFAOYSA-N
XLogP-0.22
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.22
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,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide (CID 62358434) is N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide is CCN(CC)C(=O)CCN/C(N)=N/C.
What is the InChIKey of N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
The InChIKey is WYDUTHHTBDFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-4-13(5-2)8(14)6-7-12-9(10)11-3/h4-7H2,1-3H3,(H3,10,11,12).
What are the key properties of N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide has a molecular weight of 200.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 62358434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).