N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine

C12H17N — CID 20532021

IUPACN-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1C(=C)C=CC=C1C(C)(C)C
InChIInChI=1S/C12H17N/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8,11H,1,5H2,2-4H3
InChIKeyADOLWYRSRBVCRZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.15
Rot. Bonds1

About N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine

N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 20532021) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
PubChem CID20532021
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1C(=C)C=CC=C1C(C)(C)C
InChIInChI=1S/C12H17N/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8,11H,1,5H2,2-4H3
InChIKeyADOLWYRSRBVCRZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butyl-6-methylidenecyclohexa-1,3-dien-1-yl)methanimine
CID 56638694
6-(1-Isocyanato-2-methylprop-2-enyl)-5,5-dimethylcyclohexa-1,3-diene
CID 88085932
5-(1-Isocyanato-2-methylprop-2-enyl)-1,5-dimethylcyclohexa-1,3-diene
CID 88197689
N-(3-tert-butylcyclohexa-2,4-dien-1-yl)methanimine
CID 89125939
N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine
CID 89260091
N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
CID 123335015
3,3-dimethyl-2-nona-3,5,7-trienyl-2H-pyridine
CID 123786728
N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 123911405
N-[(5E)-4,5-dimethylocta-1,5,7-trien-3-yl]methanimine
CID 126654021
N-[(Z,2S)-3-buta-1,3-dien-2-ylhex-3-en-2-yl]methanimine
CID 129134974
N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine
CID 135280943
N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine
CID 137392045

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine (CID 20532021) is N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine is C=NC1C(=C)C=CC=C1C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is ADOLWYRSRBVCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8,11H,1,5H2,2-4H3.
What are the key properties of N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 175.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 20532021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).