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

C16H29N — CID 59318285

IUPACN-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine
SMILESC=C(C)CC1(/C(C)=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C16H29N/c1-13(2)12-16(10-8-7-9-11-16)14(3)17-15(4,5)6/h1,7-12H2,2-6H3/b17-14+
InChIKeyPCWORCQVZRSORF-SAPNQHFASA-N
MW235.41 g/mol
LogP5.16
Rot. Bonds3

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

N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine (PubChem CID 59318285) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine
PubChem CID59318285
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine
SMILESC=C(C)CC1(/C(C)=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C16H29N/c1-13(2)12-16(10-8-7-9-11-16)14(3)17-15(4,5)6/h1,7-12H2,2-6H3/b17-14+
InChIKeyPCWORCQVZRSORF-SAPNQHFASA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.16
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]ethanimine?
The IUPAC name of N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine (CID 59318285) is N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine.
What is the SMILES notation for N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine?
The canonical SMILES for N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine is C=C(C)CC1(/C(C)=N/C(C)(C)C)CCCCC1.
What is the InChIKey of N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine?
The InChIKey is PCWORCQVZRSORF-SAPNQHFASA-N. The full InChI is InChI=1S/C16H29N/c1-13(2)12-16(10-8-7-9-11-16)14(3)17-15(4,5)6/h1,7-12H2,2-6H3/b17-14+.
What are the key properties of N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine?
N-tert-butyl-1-[1-(2-methylprop-2-enyl)cyclohexyl]ethanimine has a molecular weight of 235.41 g/mol, XLogP of 5.16, 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]ethanimine is sourced from PubChem (CID 59318285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).