N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine

C15H27N — CID 89230806

IUPACN-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine
SMILESC=C(C)CC1(/C=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C15H27N/c1-13(2)11-15(9-7-6-8-10-15)12-16-14(3,4)5/h12H,1,6-11H2,2-5H3/b16-12+
InChIKeyVDUYONXIMAGKEC-FOWTUZBSSA-N
MW221.39 g/mol
LogP4.77
Rot. Bonds3

About N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine

N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine (PubChem CID 89230806) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine
PubChem CID89230806
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine
SMILESC=C(C)CC1(/C=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C15H27N/c1-13(2)11-15(9-7-6-8-10-15)12-16-14(3,4)5/h12H,1,6-11H2,2-5H3/b16-12+
InChIKeyVDUYONXIMAGKEC-FOWTUZBSSA-N
XLogP4.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine?
The IUPAC name of N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine (CID 89230806) is N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine is C=C(C)CC1(/C=N/C(C)(C)C)CCCCC1.
What is the InChIKey of N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine?
The InChIKey is VDUYONXIMAGKEC-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H27N/c1-13(2)11-15(9-7-6-8-10-15)12-16-14(3,4)5/h12H,1,6-11H2,2-5H3/b16-12+.
What are the key properties of N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine?
N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine has a molecular weight of 221.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]methanimine is sourced from PubChem (CID 89230806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).