3-(1-aminoethylideneamino)-N,N-dimethylpropanamide

C7H15N3O — CID 63173618

IUPAC3-(1-aminoethylideneamino)-N,N-dimethylpropanamide
SMILESC/C(N)=N\CCC(=O)N(C)C
InChIInChI=1S/C7H15N3O/c1-6(8)9-5-4-7(11)10(2)3/h4-5H2,1-3H3,(H2,8,9)
InChIKeyMAMMQCOPDWRXLQ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.16
Rot. Bonds3

About 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide

3-(1-aminoethylideneamino)-N,N-dimethylpropanamide (PubChem CID 63173618) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(1-aminoethylideneamino)-N,N-dimethylpropanamide
PubChem CID63173618
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(1-aminoethylideneamino)-N,N-dimethylpropanamide
SMILESC/C(N)=N\CCC(=O)N(C)C
InChIInChI=1S/C7H15N3O/c1-6(8)9-5-4-7(11)10(2)3/h4-5H2,1-3H3,(H2,8,9)
InChIKeyMAMMQCOPDWRXLQ-UHFFFAOYSA-N
XLogP-0.16
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.16
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 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide (CID 63173618) is 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide is C/C(N)=N\CCC(=O)N(C)C.
What is the InChIKey of 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
The InChIKey is MAMMQCOPDWRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(8)9-5-4-7(11)10(2)3/h4-5H2,1-3H3,(H2,8,9).
What are the key properties of 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
3-(1-aminoethylideneamino)-N,N-dimethylpropanamide has a molecular weight of 157.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethylideneamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 63173618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).