N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide

C11H15N3 — CID 142112627

IUPACN'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide
SMILESC=CCc1cc(C/N=C/N)ccc1N
InChIInChI=1S/C11H15N3/c1-2-3-10-6-9(7-14-8-12)4-5-11(10)13/h2,4-6,8H,1,3,7,13H2,(H2,12,14)
InChIKeyBEOGXCHDZZKVSK-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.48
Rot. Bonds4

About N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide

N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide (PubChem CID 142112627) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide.

Molecular Properties

Compound NameN'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide
PubChem CID142112627
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide
SMILESC=CCc1cc(C/N=C/N)ccc1N
InChIInChI=1S/C11H15N3/c1-2-3-10-6-9(7-14-8-12)4-5-11(10)13/h2,4-6,8H,1,3,7,13H2,(H2,12,14)
InChIKeyBEOGXCHDZZKVSK-UHFFFAOYSA-N
XLogP1.48
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide 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 N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide?
The IUPAC name of N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide (CID 142112627) is N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide.
What is the SMILES notation for N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide?
The canonical SMILES for N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide is C=CCc1cc(C/N=C/N)ccc1N.
What is the InChIKey of N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide?
The InChIKey is BEOGXCHDZZKVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-10-6-9(7-14-8-12)4-5-11(10)13/h2,4-6,8H,1,3,7,13H2,(H2,12,14).
What are the key properties of N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide?
N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide has a molecular weight of 189.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide is sourced from PubChem (CID 142112627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).