(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide

C8H15N3O — CID 118972787

IUPAC(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide
SMILESC/N=C(/C=C(/C)N)C(=O)N(C)C
InChIInChI=1S/C8H15N3O/c1-6(9)5-7(10-2)8(12)11(3)4/h5H,9H2,1-4H3/b6-5-,10-7-
InChIKeyOWCOZPXYFBJXMZ-ICZHLNMZSA-N
MW169.23 g/mol
LogP0.01
Rot. Bonds2

About (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide

(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide (PubChem CID 118972787) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide
PubChem CID118972787
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide
SMILESC/N=C(/C=C(/C)N)C(=O)N(C)C
InChIInChI=1S/C8H15N3O/c1-6(9)5-7(10-2)8(12)11(3)4/h5H,9H2,1-4H3/b6-5-,10-7-
InChIKeyOWCOZPXYFBJXMZ-ICZHLNMZSA-N
XLogP0.01
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide?
The IUPAC name of (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide (CID 118972787) is (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide.
What is the SMILES notation for (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide?
The canonical SMILES for (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide is C/N=C(/C=C(/C)N)C(=O)N(C)C.
What is the InChIKey of (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide?
The InChIKey is OWCOZPXYFBJXMZ-ICZHLNMZSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(9)5-7(10-2)8(12)11(3)4/h5H,9H2,1-4H3/b6-5-,10-7-.
What are the key properties of (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide?
(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide has a molecular weight of 169.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide is sourced from PubChem (CID 118972787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).