3-(1-aminoethylideneamino)-N-propylpropanamide

C8H17N3O — CID 63172932

IUPAC3-(1-aminoethylideneamino)-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\C)N
InChIInChI=1S/C8H17N3O/c1-3-5-11-8(12)4-6-10-7(2)9/h3-6H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyNIXHUOCOIDKCAE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds5

About 3-(1-aminoethylideneamino)-N-propylpropanamide

3-(1-aminoethylideneamino)-N-propylpropanamide (PubChem CID 63172932) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(1-aminoethylideneamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(1-aminoethylideneamino)-N-propylpropanamide
PubChem CID63172932
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(1-aminoethylideneamino)-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\C)N
InChIInChI=1S/C8H17N3O/c1-3-5-11-8(12)4-6-10-7(2)9/h3-6H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyNIXHUOCOIDKCAE-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.28
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 3-(1-aminoethylideneamino)-N-propylpropanamide?
The IUPAC name of 3-(1-aminoethylideneamino)-N-propylpropanamide (CID 63172932) is 3-(1-aminoethylideneamino)-N-propylpropanamide.
What is the SMILES notation for 3-(1-aminoethylideneamino)-N-propylpropanamide?
The canonical SMILES for 3-(1-aminoethylideneamino)-N-propylpropanamide is CCCNC(=O)CC/N=C(\C)N.
What is the InChIKey of 3-(1-aminoethylideneamino)-N-propylpropanamide?
The InChIKey is NIXHUOCOIDKCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-5-11-8(12)4-6-10-7(2)9/h3-6H2,1-2H3,(H2,9,10)(H,11,12).
What are the key properties of 3-(1-aminoethylideneamino)-N-propylpropanamide?
3-(1-aminoethylideneamino)-N-propylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethylideneamino)-N-propylpropanamide is sourced from PubChem (CID 63172932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).