N-tert-butyl-3,7-dimethyloct-6-en-1-imine

C14H27N — CID 20591843

IUPACN-tert-butyl-3,7-dimethyloct-6-en-1-imine
SMILESCC(C)=CCCC(C)C/C=N/C(C)(C)C
InChIInChI=1S/C14H27N/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h8,11,13H,7,9-10H2,1-6H3/b15-11+
InChIKeyOEYHQFXAXXPQLA-RVDMUPIBSA-N
MW209.38 g/mol
LogP4.63
Rot. Bonds5

About N-tert-butyl-3,7-dimethyloct-6-en-1-imine

N-tert-butyl-3,7-dimethyloct-6-en-1-imine (PubChem CID 20591843) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-tert-butyl-3,7-dimethyloct-6-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3,7-dimethyloct-6-en-1-imine
PubChem CID20591843
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-tert-butyl-3,7-dimethyloct-6-en-1-imine
SMILESCC(C)=CCCC(C)C/C=N/C(C)(C)C
InChIInChI=1S/C14H27N/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h8,11,13H,7,9-10H2,1-6H3/b15-11+
InChIKeyOEYHQFXAXXPQLA-RVDMUPIBSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.63
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-3,7-dimethyloct-6-en-1-imine?
The IUPAC name of N-tert-butyl-3,7-dimethyloct-6-en-1-imine (CID 20591843) is N-tert-butyl-3,7-dimethyloct-6-en-1-imine.
What is the SMILES notation for N-tert-butyl-3,7-dimethyloct-6-en-1-imine?
The canonical SMILES for N-tert-butyl-3,7-dimethyloct-6-en-1-imine is CC(C)=CCCC(C)C/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,7-dimethyloct-6-en-1-imine?
The InChIKey is OEYHQFXAXXPQLA-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h8,11,13H,7,9-10H2,1-6H3/b15-11+.
What are the key properties of N-tert-butyl-3,7-dimethyloct-6-en-1-imine?
N-tert-butyl-3,7-dimethyloct-6-en-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,7-dimethyloct-6-en-1-imine is sourced from PubChem (CID 20591843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).