2-[2-(1-aminopropylideneamino)ethoxy]acetamide

C7H15N3O2 — CID 106241380

IUPAC2-[2-(1-aminopropylideneamino)ethoxy]acetamide
SMILESCC/C(N)=N\CCOCC(N)=O
InChIInChI=1S/C7H15N3O2/c1-2-6(8)10-3-4-12-5-7(9)11/h2-5H2,1H3,(H2,8,10)(H2,9,11)
InChIKeyVQYPOKNEXDOOAM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.74
Rot. Bonds6

About 2-[2-(1-aminopropylideneamino)ethoxy]acetamide

2-[2-(1-aminopropylideneamino)ethoxy]acetamide (PubChem CID 106241380) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[2-(1-aminopropylideneamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(1-aminopropylideneamino)ethoxy]acetamide
PubChem CID106241380
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-[2-(1-aminopropylideneamino)ethoxy]acetamide
SMILESCC/C(N)=N\CCOCC(N)=O
InChIInChI=1S/C7H15N3O2/c1-2-6(8)10-3-4-12-5-7(9)11/h2-5H2,1H3,(H2,8,10)(H2,9,11)
InChIKeyVQYPOKNEXDOOAM-UHFFFAOYSA-N
XLogP-0.74
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
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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Related Compounds

2-[2-(diaminomethylideneamino)ethoxy]acetamide
CID 106238016
2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide
CID 106241335
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
N'-hexylpropanimidamide
CID 62048653
2-tridecoxyacetamide
CID 54483018
N'-butylpropanimidamide;ethane;formonitrile;methyl hexanoate
CID 142172596
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
3-amino-3-propyliminopropanamide
CID 126994511
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
2-[2-(2-methylidenebutylamino)ethoxy]acetamide
CID 106237732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminopropylideneamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(1-aminopropylideneamino)ethoxy]acetamide (CID 106241380) is 2-[2-(1-aminopropylideneamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(1-aminopropylideneamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(1-aminopropylideneamino)ethoxy]acetamide is CC/C(N)=N\CCOCC(N)=O.
What is the InChIKey of 2-[2-(1-aminopropylideneamino)ethoxy]acetamide?
The InChIKey is VQYPOKNEXDOOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-2-6(8)10-3-4-12-5-7(9)11/h2-5H2,1H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-[2-(1-aminopropylideneamino)ethoxy]acetamide?
2-[2-(1-aminopropylideneamino)ethoxy]acetamide has a molecular weight of 173.22 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminopropylideneamino)ethoxy]acetamide is sourced from PubChem (CID 106241380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).