N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide

C16H18N4 — CID 142228676

IUPACN'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide
SMILESC=Nc1ccccc1/C(=N\CNC)Nc1ccccc1
InChIInChI=1S/C16H18N4/c1-17-12-19-16(20-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-2/h3-11,17H,2,12H2,1H3,(H,19,20)
InChIKeySYJOOLZCXLIKTE-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.05
Rot. Bonds5

About N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide

N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide (PubChem CID 142228676) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide
PubChem CID142228676
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide
SMILESC=Nc1ccccc1/C(=N\CNC)Nc1ccccc1
InChIInChI=1S/C16H18N4/c1-17-12-19-16(20-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-2/h3-11,17H,2,12H2,1H3,(H,19,20)
InChIKeySYJOOLZCXLIKTE-UHFFFAOYSA-N
XLogP3.05
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

CID 164666940
CID 164666940
N-[2-(methylideneamino)phenyl]acetamide
CID 134593356
N-methylethanamine;N-phenylacetamide
CID 156841550
2-ethenyl-N-phenylbenzamide
CID 12541487
(Z)-3,4-dimethylhex-3-ene-2,5-dione;N-methyl-1-[2-(methylideneamino)phenyl]sulfanylmethanamine
CID 143772121
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909836
1-N,4-N-bis[4-(N-methyl-N'-phenylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide
CID 135408645
2-chloro-N'-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-N-phenylethanimidamide
CID 10086243
N'-[2-[bis[2-[[anilino(phenyl)methylidene]amino]ethyl]amino]ethyl]-N-phenylbenzenecarboximidamide
CID 102109940
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
2-hydroxy-N-phenylbenzamide
CID 157209959

Frequently Asked Questions

What is the IUPAC name of N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide (CID 142228676) is N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide is C=Nc1ccccc1/C(=N\CNC)Nc1ccccc1.
What is the InChIKey of N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide?
The InChIKey is SYJOOLZCXLIKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-17-12-19-16(20-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-2/h3-11,17H,2,12H2,1H3,(H,19,20).
What are the key properties of N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide?
N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide has a molecular weight of 266.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylaminomethyl)-2-(methylideneamino)-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 142228676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).