2-(1-aminopropylideneamino)-N-ethylpropanamide

C8H17N3O — CID 63177665

IUPAC2-(1-aminopropylideneamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(/N)CC
InChIInChI=1S/C8H17N3O/c1-4-7(9)11-6(3)8(12)10-5-2/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyZCWYGRDDCVKPNA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds4

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

2-(1-aminopropylideneamino)-N-ethylpropanamide (PubChem CID 63177665) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminopropylideneamino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(1-aminopropylideneamino)-N-ethylpropanamide
PubChem CID63177665
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminopropylideneamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(/N)CC
InChIInChI=1S/C8H17N3O/c1-4-7(9)11-6(3)8(12)10-5-2/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyZCWYGRDDCVKPNA-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

CID 10487713
CID 10487713
CID 10511338
CID 10511338
CID 10290843
CID 10290843
CID 22750372
CID 22750372
CID 53718784
CID 53718784
CID 53916049
CID 53916049
CID 57586152
CID 57586152
CID 58620294
CID 58620294
CID 63173573
CID 63173573
CID 63173609
CID 63173609
CID 63173658
CID 63173658
CID 63175662
CID 63175662

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropylideneamino)-N-ethylpropanamide?
The IUPAC name of 2-(1-aminopropylideneamino)-N-ethylpropanamide (CID 63177665) is 2-(1-aminopropylideneamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(1-aminopropylideneamino)-N-ethylpropanamide?
The canonical SMILES for 2-(1-aminopropylideneamino)-N-ethylpropanamide is CCNC(=O)C(C)/N=C(/N)CC.
What is the InChIKey of 2-(1-aminopropylideneamino)-N-ethylpropanamide?
The InChIKey is ZCWYGRDDCVKPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-7(9)11-6(3)8(12)10-5-2/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of 2-(1-aminopropylideneamino)-N-ethylpropanamide?
2-(1-aminopropylideneamino)-N-ethylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylideneamino)-N-ethylpropanamide is sourced from PubChem (CID 63177665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).