N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane

C19H23N3 — CID 144831026

IUPACN'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
SMILESC=N/C(=N\C(C)=N\Cc1ccccc1)c1ccccc1.CC
InChIInChI=1S/C17H17N3.C2H6/c1-14(19-13-15-9-5-3-6-10-15)20-17(18-2)16-11-7-4-8-12-16;1-2/h3-12H,2,13H2,1H3;1-2H3/b19-14+,20-17-;
InChIKeyKPXNQWDTDGDGMY-VUPSIUHUSA-N
MW293.41 g/mol
LogP4.78
Rot. Bonds3

About N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane

N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane (PubChem CID 144831026) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane.

Molecular Properties

Compound NameN'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
PubChem CID144831026
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
SMILESC=N/C(=N\C(C)=N\Cc1ccccc1)c1ccccc1.CC
InChIInChI=1S/C17H17N3.C2H6/c1-14(19-13-15-9-5-3-6-10-15)20-17(18-2)16-11-7-4-8-12-16;1-2/h3-12H,2,13H2,1H3;1-2H3/b19-14+,20-17-;
InChIKeyKPXNQWDTDGDGMY-VUPSIUHUSA-N
XLogP4.78
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.78
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-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide
CID 145442525
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 144751102
N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
CID 145291848
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
CID 142515914
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
N'-[N-benzyl-C-[(3E)-hexa-1,3,5-trien-3-yl]carbonimidoyl]-3-[3-(3-hydroxyphenyl)phenyl]-N-methylidenebenzenecarboximidamide
CID 142294364
N'-benzyl-N,N-dimethylethanimidamide
CID 525276

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane?
The IUPAC name of N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane (CID 144831026) is N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane.
What is the SMILES notation for N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane?
The canonical SMILES for N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane is C=N/C(=N\C(C)=N\Cc1ccccc1)c1ccccc1.CC.
What is the InChIKey of N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane?
The InChIKey is KPXNQWDTDGDGMY-VUPSIUHUSA-N. The full InChI is InChI=1S/C17H17N3.C2H6/c1-14(19-13-15-9-5-3-6-10-15)20-17(18-2)16-11-7-4-8-12-16;1-2/h3-12H,2,13H2,1H3;1-2H3/b19-14+,20-17-;.
What are the key properties of N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane?
N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane has a molecular weight of 293.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane is sourced from PubChem (CID 144831026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).