4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline

C17H25N5 — CID 145005390

IUPAC4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline
SMILES[H]/N=C/C(=C\N)c1ccc(NCC2CNC(C)(C)C2)c(/C=N/[H])c1
InChIInChI=1S/C17H25N5/c1-17(2)6-12(11-22-17)10-21-16-4-3-13(5-14(16)7-18)15(8-19)9-20/h3-5,7-9,12,18-19,21-22H,6,10-11,20H2,1-2H3/b15-9+,18-7+,19-8+
InChIKeyCMAPTFDECMIYAI-XHZRKBHKSA-N
MW299.42 g/mol
LogP2.43
Rot. Bonds6

About 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline

4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline (PubChem CID 145005390) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline.

Molecular Properties

Compound Name4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline
PubChem CID145005390
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline
SMILES[H]/N=C/C(=C\N)c1ccc(NCC2CNC(C)(C)C2)c(/C=N/[H])c1
InChIInChI=1S/C17H25N5/c1-17(2)6-12(11-22-17)10-21-16-4-3-13(5-14(16)7-18)15(8-19)9-20/h3-5,7-9,12,18-19,21-22H,6,10-11,20H2,1-2H3/b15-9+,18-7+,19-8+
InChIKeyCMAPTFDECMIYAI-XHZRKBHKSA-N
XLogP2.43
TPSA97.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline?
The IUPAC name of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline (CID 145005390) is 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline.
What is the SMILES notation for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline?
The canonical SMILES for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline is [H]/N=C/C(=C\N)c1ccc(NCC2CNC(C)(C)C2)c(/C=N/[H])c1.
What is the InChIKey of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline?
The InChIKey is CMAPTFDECMIYAI-XHZRKBHKSA-N. The full InChI is InChI=1S/C17H25N5/c1-17(2)6-12(11-22-17)10-21-16-4-3-13(5-14(16)7-18)15(8-19)9-20/h3-5,7-9,12,18-19,21-22H,6,10-11,20H2,1-2H3/b15-9+,18-7+,19-8+.
What are the key properties of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline?
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline has a molecular weight of 299.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[(5,5-dimethylpyrrolidin-3-yl)methyl]-2-methanimidoylaniline is sourced from PubChem (CID 145005390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).