2-(1-aminoethylideneamino)-N-propylacetamide

C7H15N3O — CID 63173609

IUPAC2-(1-aminoethylideneamino)-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\C)N
InChIInChI=1S/C7H15N3O/c1-3-4-9-7(11)5-10-6(2)8/h3-5H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyBDPVSNAEDXDLBH-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.11
Rot. Bonds4

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

2-(1-aminoethylideneamino)-N-propylacetamide (PubChem CID 63173609) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-propylacetamide
PubChem CID63173609
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(1-aminoethylideneamino)-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\C)N
InChIInChI=1S/C7H15N3O/c1-3-4-9-7(11)5-10-6(2)8/h3-5H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyBDPVSNAEDXDLBH-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 2-(1-aminoethylideneamino)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethylideneamino)-N-propylacetamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-propylacetamide (CID 63173609) is 2-(1-aminoethylideneamino)-N-propylacetamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-propylacetamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-propylacetamide is CCCNC(=O)C/N=C(\C)N.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-propylacetamide?
The InChIKey is BDPVSNAEDXDLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-4-9-7(11)5-10-6(2)8/h3-5H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-(1-aminoethylideneamino)-N-propylacetamide?
2-(1-aminoethylideneamino)-N-propylacetamide has a molecular weight of 157.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-propylacetamide is sourced from PubChem (CID 63173609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).