N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine

C19H23N — CID 11334602

IUPACN-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine
SMILESCC(C)(C)/N=C/c1ccccc1C#CC1=CCCCC1
InChIInChI=1S/C19H23N/c1-19(2,3)20-15-18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h7-9,11-12,15H,4-6,10H2,1-3H3/b20-15+
InChIKeyMDUJKGFPRIWKQG-HMMYKYKNSA-N
MW265.40 g/mol
LogP4.76
Rot. Bonds1

About N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine

N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine (PubChem CID 11334602) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine
PubChem CID11334602
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine
SMILESCC(C)(C)/N=C/c1ccccc1C#CC1=CCCCC1
InChIInChI=1S/C19H23N/c1-19(2,3)20-15-18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h7-9,11-12,15H,4-6,10H2,1-3H3/b20-15+
InChIKeyMDUJKGFPRIWKQG-HMMYKYKNSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine 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

2-Propanamine, N-(phenylmethylene)-
CID 95962
3,4-Dihydroisoquinoline
CID 76705
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
2-Methylbenzaldehyde azine
CID 9580346
1-(2-but-3-ynylphenyl)-N-methylmethanimine oxide
CID 42628277
5-methyl-4,5-dihydro-3h-2-benzazepine-3-spirocyclohexane N-oxide
CID 2847007
Decylamine, N-benzylidene-
CID 525554
Benzylideneoctylamine
CID 525558
N-(Phenylmethylene)-1-dodecanamine
CID 89283
N-tert-butyl-1-(4-fluoro-2-methylphenyl)methanimine
CID 89349481
N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine
CID 89349482
N-Benzylidene-sec-butylamine
CID 583479

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine?
The IUPAC name of N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine (CID 11334602) is N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine is CC(C)(C)/N=C/c1ccccc1C#CC1=CCCCC1.
What is the InChIKey of N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine?
The InChIKey is MDUJKGFPRIWKQG-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N/c1-19(2,3)20-15-18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h7-9,11-12,15H,4-6,10H2,1-3H3/b20-15+.
What are the key properties of N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine?
N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine has a molecular weight of 265.40 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]methanimine is sourced from PubChem (CID 11334602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).