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

C19H24N2 — CID 3046299

IUPACN,N'-bis(1-phenylpropan-2-yl)methanimidamide
SMILESCC(Cc1ccccc1)/N=C/NC(C)Cc1ccccc1
InChIInChI=1S/C19H24N2/c1-16(13-18-9-5-3-6-10-18)20-15-21-17(2)14-19-11-7-4-8-12-19/h3-12,15-17H,13-14H2,1-2H3,(H,20,21)
InChIKeyZMZUNMHWTKMHLU-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.87
Rot. Bonds7

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

N,N'-bis(1-phenylpropan-2-yl)methanimidamide (PubChem CID 3046299) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N'-bis(1-phenylpropan-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(1-phenylpropan-2-yl)methanimidamide
PubChem CID3046299
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN,N'-bis(1-phenylpropan-2-yl)methanimidamide
SMILESCC(Cc1ccccc1)/N=C/NC(C)Cc1ccccc1
InChIInChI=1S/C19H24N2/c1-16(13-18-9-5-3-6-10-18)20-15-21-17(2)14-19-11-7-4-8-12-19/h3-12,15-17H,13-14H2,1-2H3,(H,20,21)
InChIKeyZMZUNMHWTKMHLU-UHFFFAOYSA-N
XLogP3.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
The IUPAC name of N,N'-bis(1-phenylpropan-2-yl)methanimidamide (CID 3046299) is N,N'-bis(1-phenylpropan-2-yl)methanimidamide.
What is the SMILES notation for N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
The canonical SMILES for N,N'-bis(1-phenylpropan-2-yl)methanimidamide is CC(Cc1ccccc1)/N=C/NC(C)Cc1ccccc1.
What is the InChIKey of N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
The InChIKey is ZMZUNMHWTKMHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16(13-18-9-5-3-6-10-18)20-15-21-17(2)14-19-11-7-4-8-12-19/h3-12,15-17H,13-14H2,1-2H3,(H,20,21).
What are the key properties of N,N'-bis(1-phenylpropan-2-yl)methanimidamide?
N,N'-bis(1-phenylpropan-2-yl)methanimidamide has a molecular weight of 280.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-phenylpropan-2-yl)methanimidamide is sourced from PubChem (CID 3046299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).