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

C20H26N2 — CID 3046295

IUPACN,N'-bis(1-phenylpropan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)Cc1ccccc1)NC(C)Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-16(14-19-10-6-4-7-11-19)21-18(3)22-17(2)15-20-12-8-5-9-13-20/h4-13,16-17H,14-15H2,1-3H3,(H,21,22)
InChIKeyXQSZHHLVLBOHDW-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.26
Rot. Bonds6

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

N,N'-bis(1-phenylpropan-2-yl)ethanimidamide (PubChem CID 3046295) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N'-bis(1-phenylpropan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN,N'-bis(1-phenylpropan-2-yl)ethanimidamide
PubChem CID3046295
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN,N'-bis(1-phenylpropan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)Cc1ccccc1)NC(C)Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-16(14-19-10-6-4-7-11-19)21-18(3)22-17(2)15-20-12-8-5-9-13-20/h4-13,16-17H,14-15H2,1-3H3,(H,21,22)
InChIKeyXQSZHHLVLBOHDW-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.26
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

Tolazoline
CID 5504
Tolazoline Hydrochloride
CID 6048
Cibenzoline
CID 2747
Phenyzoline
CID 33273
alpha-benzyl-N-methylphenethylamine
CID 93287
Iem 1365
CID 99869
N'-benzhydrylethanimidamide;hydrobromide
CID 50899558
2-(2-Biphenyl-2-yl-ethyl)-4,5-dihydro-1H-imidazole
CID 23242865
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
((S)-1-Methyl-2-phenyl-ethyl)-(5-phenyl-pentyl)-amine
CID 10265752
((R)-1-Methyl-2-phenyl-ethyl)-(5-phenyl-pentyl)-amine
CID 44272942
((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-amine
CID 131444

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-phenylpropan-2-yl)ethanimidamide?
The IUPAC name of N,N'-bis(1-phenylpropan-2-yl)ethanimidamide (CID 3046295) is N,N'-bis(1-phenylpropan-2-yl)ethanimidamide.
What is the SMILES notation for N,N'-bis(1-phenylpropan-2-yl)ethanimidamide?
The canonical SMILES for N,N'-bis(1-phenylpropan-2-yl)ethanimidamide is C/C(=N\C(C)Cc1ccccc1)NC(C)Cc1ccccc1.
What is the InChIKey of N,N'-bis(1-phenylpropan-2-yl)ethanimidamide?
The InChIKey is XQSZHHLVLBOHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16(14-19-10-6-4-7-11-19)21-18(3)22-17(2)15-20-12-8-5-9-13-20/h4-13,16-17H,14-15H2,1-3H3,(H,21,22).
What are the key properties of N,N'-bis(1-phenylpropan-2-yl)ethanimidamide?
N,N'-bis(1-phenylpropan-2-yl)ethanimidamide has a molecular weight of 294.44 g/mol, XLogP of 4.26, 6 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)ethanimidamide is sourced from PubChem (CID 3046295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).