5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine

C21H25N — CID 67188279

IUPAC5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine
SMILESCC(/N=C1\CCc2cc(C(C)(C)C)ccc21)c1ccccc1
InChIInChI=1S/C21H25N/c1-15(16-8-6-5-7-9-16)22-20-13-10-17-14-18(21(2,3)4)11-12-19(17)20/h5-9,11-12,14-15H,10,13H2,1-4H3/b22-20+
InChIKeyMMWMJWGDMHSRIO-LSDHQDQOSA-N
MW291.44 g/mol
LogP5.48
Rot. Bonds2

About 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine

5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine (PubChem CID 67188279) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine
PubChem CID67188279
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine
SMILESCC(/N=C1\CCc2cc(C(C)(C)C)ccc21)c1ccccc1
InChIInChI=1S/C21H25N/c1-15(16-8-6-5-7-9-16)22-20-13-10-17-14-18(21(2,3)4)11-12-19(17)20/h5-9,11-12,14-15H,10,13H2,1-4H3/b22-20+
InChIKeyMMWMJWGDMHSRIO-LSDHQDQOSA-N
XLogP5.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.48
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

N-benzyl-2,3-dihydroinden-1-imine oxide
CID 145982114
N-benzyl-2-fluoro-2,3-dihydroinden-1-imine
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5,7-dimethyl-7H-benzo[d][2]benzazepine
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1-[2-(2,4-Dimethylphenyl)ethyl]-3,4-dihydroisoquinoline hydrochloride
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N-benzyl-1-naphthalen-2-ylethanimine
CID 2731696
N-Benzyl-1-indanimine
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CID 11299670
Phenyl-N-[(2E)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]methanamine
CID 12392066
9-Fluorenylidenebenzylamine
CID 12535214
N-(9H-fluoren-9-yl)-2-methylpropan-1-imine
CID 12754299
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CID 12780483
N-benzyl-1-(4-methylphenyl)ethanimine
CID 12868988

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine?
The IUPAC name of 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine (CID 67188279) is 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine.
What is the SMILES notation for 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine?
The canonical SMILES for 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine is CC(/N=C1\CCc2cc(C(C)(C)C)ccc21)c1ccccc1.
What is the InChIKey of 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine?
The InChIKey is MMWMJWGDMHSRIO-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H25N/c1-15(16-8-6-5-7-9-16)22-20-13-10-17-14-18(21(2,3)4)11-12-19(17)20/h5-9,11-12,14-15H,10,13H2,1-4H3/b22-20+.
What are the key properties of 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine?
5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine has a molecular weight of 291.44 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-phenylethyl)-2,3-dihydroinden-1-imine is sourced from PubChem (CID 67188279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).