2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide

C11H24N6O — CID 90245819

IUPAC2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)C/N=C/N/C=N/CCN
InChIInChI=1S/C11H24N6O/c1-17(2)7-3-5-16-11(18)8-14-10-15-9-13-6-4-12/h9-10H,3-8,12H2,1-2H3,(H,16,18)(H,13,14,15)
InChIKeySQTAYENJSVHEQF-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.34
Rot. Bonds10

About 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide

2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 90245819) has the molecular formula C11H24N6O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID90245819
Molecular FormulaC11H24N6O
Molecular Weight256.35 g/mol
Exact Mass256.20
IUPAC Name2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)C/N=C/N/C=N/CCN
InChIInChI=1S/C11H24N6O/c1-17(2)7-3-5-16-11(18)8-14-10-15-9-13-6-4-12/h9-10H,3-8,12H2,1-2H3,(H,16,18)(H,13,14,15)
InChIKeySQTAYENJSVHEQF-UHFFFAOYSA-N
XLogP-1.34
TPSA95.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide (CID 90245819) is 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)C/N=C/N/C=N/CCN.
What is the InChIKey of 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is SQTAYENJSVHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N6O/c1-17(2)7-3-5-16-11(18)8-14-10-15-9-13-6-4-12/h9-10H,3-8,12H2,1-2H3,(H,16,18)(H,13,14,15).
What are the key properties of 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide?
2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of -1.34, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoethyliminomethylamino)methylideneamino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 90245819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).