N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide

C11H22N4O — CID 118617338

IUPACN-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide
SMILESCC/C(=N\CCCN(C)C(C)=O)N/C=N/C
InChIInChI=1S/C11H22N4O/c1-5-11(14-9-12-3)13-7-6-8-15(4)10(2)16/h9H,5-8H2,1-4H3,(H,12,13,14)
InChIKeyLXTXZIVQRLEBAX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.91
Rot. Bonds6

About N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide

N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide (PubChem CID 118617338) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide
PubChem CID118617338
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide
SMILESCC/C(=N\CCCN(C)C(C)=O)N/C=N/C
InChIInChI=1S/C11H22N4O/c1-5-11(14-9-12-3)13-7-6-8-15(4)10(2)16/h9H,5-8H2,1-4H3,(H,12,13,14)
InChIKeyLXTXZIVQRLEBAX-UHFFFAOYSA-N
XLogP0.91
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide?
The IUPAC name of N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide (CID 118617338) is N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide is CC/C(=N\CCCN(C)C(C)=O)N/C=N/C.
What is the InChIKey of N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide?
The InChIKey is LXTXZIVQRLEBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-11(14-9-12-3)13-7-6-8-15(4)10(2)16/h9H,5-8H2,1-4H3,(H,12,13,14).
What are the key properties of N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide?
N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[1-(methyliminomethylamino)propylideneamino]propyl]acetamide is sourced from PubChem (CID 118617338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).