2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide

C12H23N5O2 — CID 90245565

IUPAC2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide
SMILESCNC(=O)C/N=C/N/C(C)=N/CCCN(C)C(C)=O
InChIInChI=1S/C12H23N5O2/c1-10(16-9-14-8-12(19)13-3)15-6-5-7-17(4)11(2)18/h9H,5-8H2,1-4H3,(H,13,19)(H,14,15,16)
InChIKeyMNFJFZHSJVZQCX-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.36
Rot. Bonds7

About 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide

2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide (PubChem CID 90245565) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide
PubChem CID90245565
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide
SMILESCNC(=O)C/N=C/N/C(C)=N/CCCN(C)C(C)=O
InChIInChI=1S/C12H23N5O2/c1-10(16-9-14-8-12(19)13-3)15-6-5-7-17(4)11(2)18/h9H,5-8H2,1-4H3,(H,13,19)(H,14,15,16)
InChIKeyMNFJFZHSJVZQCX-UHFFFAOYSA-N
XLogP-0.36
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide?
The IUPAC name of 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide (CID 90245565) is 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide.
What is the SMILES notation for 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide?
The canonical SMILES for 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide is CNC(=O)C/N=C/N/C(C)=N/CCCN(C)C(C)=O.
What is the InChIKey of 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide?
The InChIKey is MNFJFZHSJVZQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-10(16-9-14-8-12(19)13-3)15-6-5-7-17(4)11(2)18/h9H,5-8H2,1-4H3,(H,13,19)(H,14,15,16).
What are the key properties of 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide?
2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide has a molecular weight of 269.35 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[N-[3-[acetyl(methyl)amino]propyl]-C-methylcarbonimidoyl]amino]methylideneamino]-N-methylacetamide is sourced from PubChem (CID 90245565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).