N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline

C28H30N2 — CID 23014684

IUPACN-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1N/N=C/c1ccccc1C1C=Cc2ccccc21
InChIInChI=1S/C28H30N2/c1-19(2)23-14-9-15-24(20(3)4)28(23)30-29-18-22-11-6-8-13-26(22)27-17-16-21-10-5-7-12-25(21)27/h5-20,27,30H,1-4H3/b29-18+
InChIKeyTVFXPEDMBCJLDA-RDRPBHBLSA-N
MW394.56 g/mol
LogP7.54
Rot. Bonds6

About N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline

N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline (PubChem CID 23014684) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline
PubChem CID23014684
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC NameN-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1N/N=C/c1ccccc1C1C=Cc2ccccc21
InChIInChI=1S/C28H30N2/c1-19(2)23-14-9-15-24(20(3)4)28(23)30-29-18-22-11-6-8-13-26(22)27-17-16-21-10-5-7-12-25(21)27/h5-20,27,30H,1-4H3/b29-18+
InChIKeyTVFXPEDMBCJLDA-RDRPBHBLSA-N
XLogP7.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline (CID 23014684) is N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1N/N=C/c1ccccc1C1C=Cc2ccccc21.
What is the InChIKey of N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline?
The InChIKey is TVFXPEDMBCJLDA-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H30N2/c1-19(2)23-14-9-15-24(20(3)4)28(23)30-29-18-22-11-6-8-13-26(22)27-17-16-21-10-5-7-12-25(21)27/h5-20,27,30H,1-4H3/b29-18+.
What are the key properties of N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline?
N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline has a molecular weight of 394.56 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(1H-inden-1-yl)phenyl]methylideneamino]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 23014684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).