N-(1-aminopropylidene)propanamide

C6H12N2O — CID 87475532

IUPACN-(1-aminopropylidene)propanamide
SMILESCCC(=NC(=O)CC)N
InChIInChI=1S/C6H12N2O/c1-3-5(7)8-6(9)4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyPDSQIPSRVHFOAG-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.70
Rot. Bonds2

About N-(1-aminopropylidene)propanamide

N-(1-aminopropylidene)propanamide (PubChem CID 87475532) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(1-aminopropylidene)propanamide.

Molecular Properties

Compound NameN-(1-aminopropylidene)propanamide
PubChem CID87475532
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(1-aminopropylidene)propanamide
SMILESCCC(=NC(=O)CC)N
InChIInChI=1S/C6H12N2O/c1-3-5(7)8-6(9)4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyPDSQIPSRVHFOAG-UHFFFAOYSA-N
XLogP0.70
TPSA55.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity129

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-carbamimidoylpropanamide
CID 20041659
N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide
CID 142867627
N-acetylacetamidine hydrochloride
CID 129806511
N-(1-amino-2-fluorobutylidene)acetamide
CID 122468831
3-Amino-3-methyliminopropanamide
CID 15710601
N-(1-aminoethylidene)acetamide
CID 18722856
N-(1-amino-2,2-dimethylpropylidene)acetamide
CID 20577895
N-(1-aminoethylidene)butanamide
CID 21720730
3-Amino-3-propan-2-yliminopropanamide
CID 22056420
3-Amino-3-ethyliminopropanamide
CID 22056426
N-(1-aminopropylidene)acetamide
CID 55289163
N-(1-aminoethylidene)-2,2-dimethylpropanamide
CID 55289166

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropylidene)propanamide?
The IUPAC name of N-(1-aminopropylidene)propanamide (CID 87475532) is N-(1-aminopropylidene)propanamide.
What is the SMILES notation for N-(1-aminopropylidene)propanamide?
The canonical SMILES for N-(1-aminopropylidene)propanamide is CCC(=NC(=O)CC)N.
What is the InChIKey of N-(1-aminopropylidene)propanamide?
The InChIKey is PDSQIPSRVHFOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-5(7)8-6(9)4-2/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of N-(1-aminopropylidene)propanamide?
N-(1-aminopropylidene)propanamide has a molecular weight of 128.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)propanamide is sourced from PubChem (CID 87475532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).