N-(4-tert-butyl-1-methylcyclohexyl)methanimine

C12H23N — CID 91483297

IUPACN-(4-tert-butyl-1-methylcyclohexyl)methanimine
SMILESC=NC1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23N/c1-11(2,3)10-6-8-12(4,13-5)9-7-10/h10H,5-9H2,1-4H3
InChIKeyPZDAZORWGXRIPP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.68
Rot. Bonds1

About N-(4-tert-butyl-1-methylcyclohexyl)methanimine

N-(4-tert-butyl-1-methylcyclohexyl)methanimine (PubChem CID 91483297) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(4-tert-butyl-1-methylcyclohexyl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butyl-1-methylcyclohexyl)methanimine
PubChem CID91483297
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(4-tert-butyl-1-methylcyclohexyl)methanimine
SMILESC=NC1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23N/c1-11(2,3)10-6-8-12(4,13-5)9-7-10/h10H,5-9H2,1-4H3
InChIKeyPZDAZORWGXRIPP-UHFFFAOYSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1-methylcyclohexyl)methanimine?
The IUPAC name of N-(4-tert-butyl-1-methylcyclohexyl)methanimine (CID 91483297) is N-(4-tert-butyl-1-methylcyclohexyl)methanimine.
What is the SMILES notation for N-(4-tert-butyl-1-methylcyclohexyl)methanimine?
The canonical SMILES for N-(4-tert-butyl-1-methylcyclohexyl)methanimine is C=NC1(C)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butyl-1-methylcyclohexyl)methanimine?
The InChIKey is PZDAZORWGXRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)10-6-8-12(4,13-5)9-7-10/h10H,5-9H2,1-4H3.
What are the key properties of N-(4-tert-butyl-1-methylcyclohexyl)methanimine?
N-(4-tert-butyl-1-methylcyclohexyl)methanimine has a molecular weight of 181.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1-methylcyclohexyl)methanimine is sourced from PubChem (CID 91483297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).