3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide

C8H17N3O2 — CID 115612361

IUPAC3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC/N=C(\C)N
InChIInChI=1S/C8H17N3O2/c1-7(9)10-4-3-8(12)11-5-6-13-2/h3-6H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyCQTGDNGYQPBVKN-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.48
Rot. Bonds6

About 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide

3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide (PubChem CID 115612361) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide
PubChem CID115612361
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC/N=C(\C)N
InChIInChI=1S/C8H17N3O2/c1-7(9)10-4-3-8(12)11-5-6-13-2/h3-6H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyCQTGDNGYQPBVKN-UHFFFAOYSA-N
XLogP-0.48
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.48
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

3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide
CID 75532770
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
N-(2-methoxyethyl)-4-oxo-6-sulfanylhexanamide
CID 162213773
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide (CID 115612361) is 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CC/N=C(\C)N.
What is the InChIKey of 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is CQTGDNGYQPBVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-7(9)10-4-3-8(12)11-5-6-13-2/h3-6H2,1-2H3,(H2,9,10)(H,11,12).
What are the key properties of 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide?
3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 187.24 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115612361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).