N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide

C17H20N2 — CID 8007615

IUPACN'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(2)15-11-7-8-12-16(15)19-17(18-3)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,18,19)
InChIKeyNGQOYMGQFOAFKE-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.30
Rot. Bonds3

About N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide

N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide (PubChem CID 8007615) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide
PubChem CID8007615
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide
SMILESC/N=C(/Nc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(2)15-11-7-8-12-16(15)19-17(18-3)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,18,19)
InChIKeyNGQOYMGQFOAFKE-UHFFFAOYSA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
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-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
CID 132582428
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
(2S)-3,3-dimethyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61182098

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide?
The IUPAC name of N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide (CID 8007615) is N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide is C/N=C(/Nc1ccccc1C(C)C)c1ccccc1.
What is the InChIKey of N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide?
The InChIKey is NGQOYMGQFOAFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13(2)15-11-7-8-12-16(15)19-17(18-3)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,18,19).
What are the key properties of N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide?
N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide has a molecular weight of 252.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide is sourced from PubChem (CID 8007615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).