2-(1-aminoethylideneamino)-N-ethylpropanamide

C7H15N3O — CID 63173362

IUPAC2-(1-aminoethylideneamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(\C)N
InChIInChI=1S/C7H15N3O/c1-4-9-7(11)5(2)10-6(3)8/h5H,4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyLTRHSMHXXITEDZ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.11
Rot. Bonds3

About 2-(1-aminoethylideneamino)-N-ethylpropanamide

2-(1-aminoethylideneamino)-N-ethylpropanamide (PubChem CID 63173362) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-ethylpropanamide
PubChem CID63173362
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(1-aminoethylideneamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(\C)N
InChIInChI=1S/C7H15N3O/c1-4-9-7(11)5(2)10-6(3)8/h5H,4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyLTRHSMHXXITEDZ-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(1-aminoethylideneamino)-N-ethylpropanamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-ethylpropanamide (CID 63173362) is 2-(1-aminoethylideneamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-ethylpropanamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-ethylpropanamide is CCNC(=O)C(C)/N=C(\C)N.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-ethylpropanamide?
The InChIKey is LTRHSMHXXITEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-4-9-7(11)5(2)10-6(3)8/h5H,4H2,1-3H3,(H2,8,10)(H,9,11).
What are the key properties of 2-(1-aminoethylideneamino)-N-ethylpropanamide?
2-(1-aminoethylideneamino)-N-ethylpropanamide has a molecular weight of 157.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-ethylpropanamide is sourced from PubChem (CID 63173362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).