N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine

C13H25N — CID 123645203

IUPACN-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine
SMILESC=NC(C)(C=CC)CC(C)(C)C(C)C
InChIInChI=1S/C13H25N/c1-8-9-13(6,14-7)10-12(4,5)11(2)3/h8-9,11H,7,10H2,1-6H3
InChIKeyCFXRONKQUAQEOW-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.09
Rot. Bonds5

About N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine

N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine (PubChem CID 123645203) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine.

Molecular Properties

Compound NameN-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine
PubChem CID123645203
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine
SMILESC=NC(C)(C=CC)CC(C)(C)C(C)C
InChIInChI=1S/C13H25N/c1-8-9-13(6,14-7)10-12(4,5)11(2)3/h8-9,11H,7,10H2,1-6H3
InChIKeyCFXRONKQUAQEOW-UHFFFAOYSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.09
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-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine?
The IUPAC name of N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine (CID 123645203) is N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine.
What is the SMILES notation for N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine?
The canonical SMILES for N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine is C=NC(C)(C=CC)CC(C)(C)C(C)C.
What is the InChIKey of N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine?
The InChIKey is CFXRONKQUAQEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8-9-13(6,14-7)10-12(4,5)11(2)3/h8-9,11H,7,10H2,1-6H3.
What are the key properties of N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine?
N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine has a molecular weight of 195.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6,6,7-tetramethyloct-2-en-4-yl)methanimine is sourced from PubChem (CID 123645203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).