N-[(E)-3-aminopropylideneamino]propanamide

C6H13N3O — CID 58684194

IUPACN-[(E)-3-aminopropylideneamino]propanamide
SMILESCCC(=O)N/N=C/CCN
InChIInChI=1S/C6H13N3O/c1-2-6(10)9-8-5-3-4-7/h5H,2-4,7H2,1H3,(H,9,10)/b8-5+
InChIKeyKIIBMAUDIBELAP-VMPITWQZSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds4

About N-[(E)-3-aminopropylideneamino]propanamide

N-[(E)-3-aminopropylideneamino]propanamide (PubChem CID 58684194) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(E)-3-aminopropylideneamino]propanamide.

Molecular Properties

Compound NameN-[(E)-3-aminopropylideneamino]propanamide
PubChem CID58684194
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-[(E)-3-aminopropylideneamino]propanamide
SMILESCCC(=O)N/N=C/CCN
InChIInChI=1S/C6H13N3O/c1-2-6(10)9-8-5-3-4-7/h5H,2-4,7H2,1H3,(H,9,10)/b8-5+
InChIKeyKIIBMAUDIBELAP-VMPITWQZSA-N
XLogP-0.15
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-aminopropylideneamino]propanamide?
The IUPAC name of N-[(E)-3-aminopropylideneamino]propanamide (CID 58684194) is N-[(E)-3-aminopropylideneamino]propanamide.
What is the SMILES notation for N-[(E)-3-aminopropylideneamino]propanamide?
The canonical SMILES for N-[(E)-3-aminopropylideneamino]propanamide is CCC(=O)N/N=C/CCN.
What is the InChIKey of N-[(E)-3-aminopropylideneamino]propanamide?
The InChIKey is KIIBMAUDIBELAP-VMPITWQZSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-6(10)9-8-5-3-4-7/h5H,2-4,7H2,1H3,(H,9,10)/b8-5+.
What are the key properties of N-[(E)-3-aminopropylideneamino]propanamide?
N-[(E)-3-aminopropylideneamino]propanamide has a molecular weight of 143.19 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-aminopropylideneamino]propanamide is sourced from PubChem (CID 58684194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).