N-[2-(1-aminoethylideneamino)ethyl]acetamide

C6H13N3O — CID 23394281

IUPACN-[2-(1-aminoethylideneamino)ethyl]acetamide
SMILESCC(=O)NCC/N=C(\C)N
InChIInChI=1S/C6H13N3O/c1-5(7)8-3-4-9-6(2)10/h3-4H2,1-2H3,(H2,7,8)(H,9,10)
InChIKeyGNCHTNSLCBOVPQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.50
Rot. Bonds3

About N-[2-(1-aminoethylideneamino)ethyl]acetamide

N-[2-(1-aminoethylideneamino)ethyl]acetamide (PubChem CID 23394281) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[2-(1-aminoethylideneamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-aminoethylideneamino)ethyl]acetamide
PubChem CID23394281
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-[2-(1-aminoethylideneamino)ethyl]acetamide
SMILESCC(=O)NCC/N=C(\C)N
InChIInChI=1S/C6H13N3O/c1-5(7)8-3-4-9-6(2)10/h3-4H2,1-2H3,(H2,7,8)(H,9,10)
InChIKeyGNCHTNSLCBOVPQ-UHFFFAOYSA-N
XLogP-0.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3,6-Dihydro-5-aminopyrazin-2(1h)-one
CID 70097692
N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]acetamide
CID 20693624
5-Dimethylamino-3,6-dihydropyrazin-2(1h)-one
CID 129860186
2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide
CID 131223001
N-[2-(diaminomethylideneamino)ethyl]acetamide
CID 12715885
N-[2-(2,3-dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]acetamide
CID 18717500
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
CID 20748345
5-amino-1-methyl-3,6-dihydro-1H-pyrazin-2-one hydrochloride
CID 21941365
5-Amino-1-methyl-1,6-dihydropyrazin-2(3H)-one
CID 21941366
N-(2-amino-2-hydrazinylideneethyl)acetamide
CID 53765598
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide
CID 54399781
5-amino-2,3-dihydro-1H-pyrazin-6-one
CID 57514167

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]acetamide?
The IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]acetamide (CID 23394281) is N-[2-(1-aminoethylideneamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-aminoethylideneamino)ethyl]acetamide?
The canonical SMILES for N-[2-(1-aminoethylideneamino)ethyl]acetamide is CC(=O)NCC/N=C(\C)N.
What is the InChIKey of N-[2-(1-aminoethylideneamino)ethyl]acetamide?
The InChIKey is GNCHTNSLCBOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(7)8-3-4-9-6(2)10/h3-4H2,1-2H3,(H2,7,8)(H,9,10).
What are the key properties of N-[2-(1-aminoethylideneamino)ethyl]acetamide?
N-[2-(1-aminoethylideneamino)ethyl]acetamide has a molecular weight of 143.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethylideneamino)ethyl]acetamide is sourced from PubChem (CID 23394281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).