N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide

C21H19N3 — CID 145442525

IUPACN-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(C)=N\Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H19N3/c1-16(24-21(22-2)18-10-4-3-5-11-18)23-15-19-13-8-12-17-9-6-7-14-20(17)19/h3-14H,2,15H2,1H3/b23-16+,24-21-
InChIKeyIOIAXCAGHLVAPC-TUHQPYOXSA-N
MW313.40 g/mol
LogP4.91
Rot. Bonds3

About N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide

N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide (PubChem CID 145442525) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide
PubChem CID145442525
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC NameN-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(C)=N\Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H19N3/c1-16(24-21(22-2)18-10-4-3-5-11-18)23-15-19-13-8-12-17-9-6-7-14-20(17)19/h3-14H,2,15H2,1H3/b23-16+,24-21-
InChIKeyIOIAXCAGHLVAPC-TUHQPYOXSA-N
XLogP4.91
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
CID 145291848
N-benzylmethanimine;5-methyl-N-methylidene-N'-[N-[[4-[1-[4-[N-methylidene-N'-(naphthalen-1-ylmethyl)carbamimidoyl]phenyl]cyclohexyl]phenyl]methyl]-C-phenylcarbonimidoyl]cyclodeca-1,3,5,7,9-pentaene-1-carboximidamide
CID 145073500
N-[(methylideneamino)-[3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenyl]methylidene]-N'-(naphthalen-1-ylmethyl)naphthalene-1-carboximidamide
CID 142293865
N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 144781998
3-cyclopropyl-N-(naphthalen-1-ylmethyl)-1-phenylprop-2-yn-1-imine
CID 57408591
N'-ethyl-N-methylidenenaphthalene-1-carboximidamide
CID 145291521
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-methylidene-5-(3-phenylbenzo[f]quinolin-1-yl)benzenecarboximidamide
CID 138643801
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
CID 14815455

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide?
The IUPAC name of N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide (CID 145442525) is N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide?
The canonical SMILES for N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide is C=N/C(=N\C(C)=N\Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide?
The InChIKey is IOIAXCAGHLVAPC-TUHQPYOXSA-N. The full InChI is InChI=1S/C21H19N3/c1-16(24-21(22-2)18-10-4-3-5-11-18)23-15-19-13-8-12-17-9-6-7-14-20(17)19/h3-14H,2,15H2,1H3/b23-16+,24-21-.
What are the key properties of N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide?
N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide has a molecular weight of 313.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 145442525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).