1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine

C23H23N — CID 170780708

IUPAC1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
SMILESCC(CCc1ccccc1)[15N]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N/c1-19(17-18-20-11-5-2-6-12-20)24-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3/i24+1
InChIKeyZQIQSRMLYMDRKH-MCHSYIMZSA-N
MW314.44 g/mol
LogP5.55
Rot. Bonds6

About 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine

1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine (PubChem CID 170780708) has the molecular formula C23H23N and a molecular weight of 314.44 g/mol. Its IUPAC name is 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine.

Molecular Properties

Compound Name1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
PubChem CID170780708
Molecular FormulaC23H23N
Molecular Weight314.44 g/mol
Exact Mass314.18
IUPAC Name1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
SMILESCC(CCc1ccccc1)[15N]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N/c1-19(17-18-20-11-5-2-6-12-20)24-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3/i24+1
InChIKeyZQIQSRMLYMDRKH-MCHSYIMZSA-N
XLogP5.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylbutan-2-yl)guanidine
CID 14088265
5-(benzhydrylideneamino)hexan-2-one
CID 21343384
N'-(4-phenylbutan-2-yl)butanimidamide
CID 62048860
3-azidobutylbenzene
CID 11805255
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
ethene;3-methylbutylbenzene
CID 145421013
(2S)-4-phenylbutan-2-amine
CID 6994564
(2R)-4-phenylbutane-2-thiol
CID 28974861
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
2-methyl-4-phenylbutanoic acid
CID 66896591

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine?
The IUPAC name of 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine (CID 170780708) is 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine.
What is the SMILES notation for 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine?
The canonical SMILES for 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine is CC(CCc1ccccc1)[15N]=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine?
The InChIKey is ZQIQSRMLYMDRKH-MCHSYIMZSA-N. The full InChI is InChI=1S/C23H23N/c1-19(17-18-20-11-5-2-6-12-20)24-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3/i24+1.
What are the key properties of 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine?
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine has a molecular weight of 314.44 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine is sourced from PubChem (CID 170780708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).