N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide

C20H26N2 — CID 3046296

IUPACN-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide
SMILESCC(Cc1ccccc1)/N=C/N(C)C(C)Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-17(14-19-10-6-4-7-11-19)21-16-22(3)18(2)15-20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3/b21-16+
InChIKeyIJWYJBXEOVTKGZ-LTGZKZEYSA-N
MW294.44 g/mol
LogP4.21
Rot. Bonds7

About N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide

N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide (PubChem CID 3046296) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide.

Molecular Properties

Compound NameN-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide
PubChem CID3046296
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide
SMILESCC(Cc1ccccc1)/N=C/N(C)C(C)Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-17(14-19-10-6-4-7-11-19)21-16-22(3)18(2)15-20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3/b21-16+
InChIKeyIJWYJBXEOVTKGZ-LTGZKZEYSA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.21
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
The IUPAC name of N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide (CID 3046296) is N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide.
What is the SMILES notation for N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
The canonical SMILES for N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide is CC(Cc1ccccc1)/N=C/N(C)C(C)Cc1ccccc1.
What is the InChIKey of N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
The InChIKey is IJWYJBXEOVTKGZ-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H26N2/c1-17(14-19-10-6-4-7-11-19)21-16-22(3)18(2)15-20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3/b21-16+.
What are the key properties of N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide has a molecular weight of 294.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide is sourced from PubChem (CID 3046296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).