N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide

C16H17N3 — CID 20517414

IUPACN'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H17N3/c1-19(2)13-18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h3-13H,1-2H3/b17-12+,18-13+
InChIKeyROGZXNQNIPCATK-PWDIZTEBSA-N
MW251.33 g/mol
LogP3.66
Rot. Bonds4

About N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide

N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide (PubChem CID 20517414) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
PubChem CID20517414
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H17N3/c1-19(2)13-18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h3-13H,1-2H3/b17-12+,18-13+
InChIKeyROGZXNQNIPCATK-PWDIZTEBSA-N
XLogP3.66
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N,1-diphenylmethanimine
CID 10858
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
N,N-dimethyl-N'-pyridin-4-ylmethanimidamide
CID 28493
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
CID 139193639
N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine
CID 86575708
N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
CID 124927893
3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline
CID 22967567

Frequently Asked Questions

What is the IUPAC name of N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide (CID 20517414) is N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is ROGZXNQNIPCATK-PWDIZTEBSA-N. The full InChI is InChI=1S/C16H17N3/c1-19(2)13-18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h3-13H,1-2H3/b17-12+,18-13+.
What are the key properties of N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide?
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 251.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 20517414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).