N-(4-tert-butyl-2-methylideneoctyl)methanimine

C14H27N — CID 163459498

IUPACN-(4-tert-butyl-2-methylideneoctyl)methanimine
SMILESC=NCC(=C)CC(CCCC)C(C)(C)C
InChIInChI=1S/C14H27N/c1-7-8-9-13(14(3,4)5)10-12(2)11-15-6/h13H,2,6-11H2,1,3-5H3
InChIKeyBNJIEXPNNOUZHP-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.49
Rot. Bonds7

About N-(4-tert-butyl-2-methylideneoctyl)methanimine

N-(4-tert-butyl-2-methylideneoctyl)methanimine (PubChem CID 163459498) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(4-tert-butyl-2-methylideneoctyl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-methylideneoctyl)methanimine
PubChem CID163459498
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(4-tert-butyl-2-methylideneoctyl)methanimine
SMILESC=NCC(=C)CC(CCCC)C(C)(C)C
InChIInChI=1S/C14H27N/c1-7-8-9-13(14(3,4)5)10-12(2)11-15-6/h13H,2,6-11H2,1,3-5H3
InChIKeyBNJIEXPNNOUZHP-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.49
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-tert-butyl-2-methylideneoctyl)methanimine?
The IUPAC name of N-(4-tert-butyl-2-methylideneoctyl)methanimine (CID 163459498) is N-(4-tert-butyl-2-methylideneoctyl)methanimine.
What is the SMILES notation for N-(4-tert-butyl-2-methylideneoctyl)methanimine?
The canonical SMILES for N-(4-tert-butyl-2-methylideneoctyl)methanimine is C=NCC(=C)CC(CCCC)C(C)(C)C.
What is the InChIKey of N-(4-tert-butyl-2-methylideneoctyl)methanimine?
The InChIKey is BNJIEXPNNOUZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-7-8-9-13(14(3,4)5)10-12(2)11-15-6/h13H,2,6-11H2,1,3-5H3.
What are the key properties of N-(4-tert-butyl-2-methylideneoctyl)methanimine?
N-(4-tert-butyl-2-methylideneoctyl)methanimine has a molecular weight of 209.38 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-methylideneoctyl)methanimine is sourced from PubChem (CID 163459498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).