N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine

C22H25N — CID 23015820

IUPACN-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine
SMILESCCCC/N=C(\C)c1ccccc1C1C(C)=Cc2ccccc21
InChIInChI=1S/C22H25N/c1-4-5-14-23-17(3)19-11-8-9-13-21(19)22-16(2)15-18-10-6-7-12-20(18)22/h6-13,15,22H,4-5,14H2,1-3H3/b23-17+
InChIKeyVCOGREXWCKGCIU-HAVVHWLPSA-N
MW303.45 g/mol
LogP5.84
Rot. Bonds5

About N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine

N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine (PubChem CID 23015820) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine.

Molecular Properties

Compound NameN-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine
PubChem CID23015820
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine
SMILESCCCC/N=C(\C)c1ccccc1C1C(C)=Cc2ccccc21
InChIInChI=1S/C22H25N/c1-4-5-14-23-17(3)19-11-8-9-13-21(19)22-16(2)15-18-10-6-7-12-20(18)22/h6-13,15,22H,4-5,14H2,1-3H3/b23-17+
InChIKeyVCOGREXWCKGCIU-HAVVHWLPSA-N
XLogP5.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethanimine
CID 139994372
2-(N-decyl-C-methylcarbonimidoyl)phenol
CID 4600028
2-[2-(2-methyl-1H-inden-1-yl)phenyl]propan-2-ol
CID 139951458
2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde
CID 139946468
2-[C-methyl-N-[3-[1-(2-oxidophenyl)ethylideneamino]propyl]carbonimidoyl]phenolate
CID 101473488
ethyl N-butylbenzenecarboximidate
CID 19093178
1-ethyl-2-methyl-1H-indene
CID 12910549
N-hexadecyl-1-phenylethanimine
CID 102417154
N-butyl-1-pyridin-2-ylethanimine
CID 583773
bis(2-methyl-1H-inden-1-yl)silane
CID 154500398
N-butyl-1-(2-propyl-1H-pyrrol-3-yl)ethanimine
CID 137153888
1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene
CID 177222864

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine?
The IUPAC name of N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine (CID 23015820) is N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine.
What is the SMILES notation for N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine?
The canonical SMILES for N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine is CCCC/N=C(\C)c1ccccc1C1C(C)=Cc2ccccc21.
What is the InChIKey of N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine?
The InChIKey is VCOGREXWCKGCIU-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H25N/c1-4-5-14-23-17(3)19-11-8-9-13-21(19)22-16(2)15-18-10-6-7-12-20(18)22/h6-13,15,22H,4-5,14H2,1-3H3/b23-17+.
What are the key properties of N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine?
N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine has a molecular weight of 303.45 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethanimine is sourced from PubChem (CID 23015820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).