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

C7H15N3O — CID 63173364

IUPAC2-(1-aminoethylideneamino)-N,N-dimethylpropanamide
SMILESC/C(N)=N\C(C)C(=O)N(C)C
InChIInChI=1S/C7H15N3O/c1-5(9-6(2)8)7(11)10(3)4/h5H,1-4H3,(H2,8,9)
InChIKeyBUVVVFDMKMBPKF-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.16
Rot. Bonds2

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

2-(1-aminoethylideneamino)-N,N-dimethylpropanamide (PubChem CID 63173364) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N,N-dimethylpropanamide
PubChem CID63173364
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(1-aminoethylideneamino)-N,N-dimethylpropanamide
SMILESC/C(N)=N\C(C)C(=O)N(C)C
InChIInChI=1S/C7H15N3O/c1-5(9-6(2)8)7(11)10(3)4/h5H,1-4H3,(H2,8,9)
InChIKeyBUVVVFDMKMBPKF-UHFFFAOYSA-N
XLogP-0.16
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide (CID 63173364) is 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide is C/C(N)=N\C(C)C(=O)N(C)C.
What is the InChIKey of 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
The InChIKey is BUVVVFDMKMBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(9-6(2)8)7(11)10(3)4/h5H,1-4H3,(H2,8,9).
What are the key properties of 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide?
2-(1-aminoethylideneamino)-N,N-dimethylpropanamide has a molecular weight of 157.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 63173364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).