N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine

C20H23N5 — CID 5052216

IUPACN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine
SMILESCCC(C)(/N=C/c1ccccc1)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C20H23N5/c1-5-20(4,21-14-17-12-7-6-8-13-17)19-22-23-24-25(19)18-15(2)10-9-11-16(18)3/h6-14H,5H2,1-4H3/b21-14+
InChIKeyKQLPPPSGJPIUOT-KGENOOAVSA-N
MW333.44 g/mol
LogP4.02
Rot. Bonds5

About N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine

N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine (PubChem CID 5052216) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine
PubChem CID5052216
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine
SMILESCCC(C)(/N=C/c1ccccc1)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C20H23N5/c1-5-20(4,21-14-17-12-7-6-8-13-17)19-22-23-24-25(19)18-15(2)10-9-11-16(18)3/h6-14H,5H2,1-4H3/b21-14+
InChIKeyKQLPPPSGJPIUOT-KGENOOAVSA-N
XLogP4.02
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine 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

1H-Tetrazole, 1,5-diphenyl-
CID 139033
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-(4-Tert-butylphenyl)-5-phenyltetrazole
CID 2732009
1-(2-Methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
CID 872287
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]cyclohexyl}aniline
CID 2829506
N-(4-chlorobenzylidene)-N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]-1-methylethyl}amine
CID 4251773
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360405
1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360407

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine?
The IUPAC name of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine (CID 5052216) is N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine?
The canonical SMILES for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine is CCC(C)(/N=C/c1ccccc1)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine?
The InChIKey is KQLPPPSGJPIUOT-KGENOOAVSA-N. The full InChI is InChI=1S/C20H23N5/c1-5-20(4,21-14-17-12-7-6-8-13-17)19-22-23-24-25(19)18-15(2)10-9-11-16(18)3/h6-14H,5H2,1-4H3/b21-14+.
What are the key properties of N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine?
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine has a molecular weight of 333.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine is sourced from PubChem (CID 5052216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).