2-(1-aminopropylideneamino)-N,N-dimethylpropanamide

C8H17N3O — CID 63177901

IUPAC2-(1-aminopropylideneamino)-N,N-dimethylpropanamide
SMILESCC/C(N)=N\C(C)C(=O)N(C)C
InChIInChI=1S/C8H17N3O/c1-5-7(9)10-6(2)8(12)11(3)4/h6H,5H2,1-4H3,(H2,9,10)
InChIKeyQLDAHGMKFRNJEV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds3

About 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide

2-(1-aminopropylideneamino)-N,N-dimethylpropanamide (PubChem CID 63177901) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(1-aminopropylideneamino)-N,N-dimethylpropanamide
PubChem CID63177901
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminopropylideneamino)-N,N-dimethylpropanamide
SMILESCC/C(N)=N\C(C)C(=O)N(C)C
InChIInChI=1S/C8H17N3O/c1-5-7(9)10-6(2)8(12)11(3)4/h6H,5H2,1-4H3,(H2,9,10)
InChIKeyQLDAHGMKFRNJEV-UHFFFAOYSA-N
XLogP0.23
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
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 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide (CID 63177901) is 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide is CC/C(N)=N\C(C)C(=O)N(C)C.
What is the InChIKey of 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide?
The InChIKey is QLDAHGMKFRNJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5-7(9)10-6(2)8(12)11(3)4/h6H,5H2,1-4H3,(H2,9,10).
What are the key properties of 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide?
2-(1-aminopropylideneamino)-N,N-dimethylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylideneamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 63177901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).