2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide

C11H21N5O2 — CID 90245681

IUPAC2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C/N/C=N/CCCN(C)C=O
InChIInChI=1S/C11H21N5O2/c1-10(11(18)12-2)15-8-14-7-13-5-4-6-16(3)9-17/h7-10H,4-6H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyREPSJOLYJXGADW-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.75
Rot. Bonds9

About 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide

2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide (PubChem CID 90245681) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide
PubChem CID90245681
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide
SMILESCNC(=O)C(C)/N=C/N/C=N/CCCN(C)C=O
InChIInChI=1S/C11H21N5O2/c1-10(11(18)12-2)15-8-14-7-13-5-4-6-16(3)9-17/h7-10H,4-6H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyREPSJOLYJXGADW-UHFFFAOYSA-N
XLogP-0.75
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide?
The IUPAC name of 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide (CID 90245681) is 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide is CNC(=O)C(C)/N=C/N/C=N/CCCN(C)C=O.
What is the InChIKey of 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide?
The InChIKey is REPSJOLYJXGADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-10(11(18)12-2)15-8-14-7-13-5-4-6-16(3)9-17/h7-10H,4-6H2,1-3H3,(H,12,18)(H,13,14,15).
What are the key properties of 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide?
2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide has a molecular weight of 255.32 g/mol, XLogP of -0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[formyl(methyl)amino]propyliminomethylamino]methylideneamino]-N-methylpropanamide is sourced from PubChem (CID 90245681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).