N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine

C24H23N — CID 91806437

IUPACN-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine
SMILESCC[C@H]1Cc2ccc(N=C(c3ccccc3)c3ccccc3)cc2C1
InChIInChI=1S/C24H23N/c1-2-18-15-21-13-14-23(17-22(21)16-18)25-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17-18H,2,15-16H2,1H3/t18-/m0/s1
InChIKeyKBNPKOHXZZLEAZ-SFHVURJKSA-N
MW325.45 g/mol
LogP5.98
Rot. Bonds4

About N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine

N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine (PubChem CID 91806437) has the molecular formula C24H23N and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine
PubChem CID91806437
Molecular FormulaC24H23N
Molecular Weight325.45 g/mol
Exact Mass325.18
IUPAC NameN-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine
SMILESCC[C@H]1Cc2ccc(N=C(c3ccccc3)c3ccccc3)cc2C1
InChIInChI=1S/C24H23N/c1-2-18-15-21-13-14-23(17-22(21)16-18)25-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17-18H,2,15-16H2,1H3/t18-/m0/s1
InChIKeyKBNPKOHXZZLEAZ-SFHVURJKSA-N
XLogP5.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine (CID 91806437) is N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine is CC[C@H]1Cc2ccc(N=C(c3ccccc3)c3ccccc3)cc2C1.
What is the InChIKey of N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine?
The InChIKey is KBNPKOHXZZLEAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N/c1-2-18-15-21-13-14-23(17-22(21)16-18)25-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17-18H,2,15-16H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine?
N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine has a molecular weight of 325.45 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethyl-2,3-dihydro-1H-inden-5-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 91806437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).