N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine

C16H29N — CID 11107330

IUPACN-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine
SMILESCC(C)=CCC1(/C=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C16H29N/c1-14(2)9-12-16(10-7-6-8-11-16)13-17-15(3,4)5/h9,13H,6-8,10-12H2,1-5H3/b17-13+
InChIKeyFWJHJKODTMXYOY-GHRIWEEISA-N
MW235.41 g/mol
LogP5.16
Rot. Bonds3

About N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine

N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine (PubChem CID 11107330) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine
PubChem CID11107330
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine
SMILESCC(C)=CCC1(/C=N/C(C)(C)C)CCCCC1
InChIInChI=1S/C16H29N/c1-14(2)9-12-16(10-7-6-8-11-16)13-17-15(3,4)5/h9,13H,6-8,10-12H2,1-5H3/b17-13+
InChIKeyFWJHJKODTMXYOY-GHRIWEEISA-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-(3-methylbut-2-enyl)cyclohexyl]methanimine?
The IUPAC name of N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine (CID 11107330) is N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine is CC(C)=CCC1(/C=N/C(C)(C)C)CCCCC1.
What is the InChIKey of N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine?
The InChIKey is FWJHJKODTMXYOY-GHRIWEEISA-N. The full InChI is InChI=1S/C16H29N/c1-14(2)9-12-16(10-7-6-8-11-16)13-17-15(3,4)5/h9,13H,6-8,10-12H2,1-5H3/b17-13+.
What are the key properties of N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine?
N-tert-butyl-1-[1-(3-methylbut-2-enyl)cyclohexyl]methanimine 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-(3-methylbut-2-enyl)cyclohexyl]methanimine is sourced from PubChem (CID 11107330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).