N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine

C13H27N — CID 12682622

IUPACN-tert-butyl-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-11(2,3)10(12(4,5)6)14-13(7,8)9/h1-9H3
InChIKeyFRHUPASETRFWMG-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.32
Rot. Bonds

About N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine

N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine (PubChem CID 12682622) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine.

Molecular Properties

Compound NameN-tert-butyl-2,2,4,4-tetramethylpentan-3-imine
PubChem CID12682622
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-11(2,3)10(12(4,5)6)14-13(7,8)9/h1-9H3
InChIKeyFRHUPASETRFWMG-UHFFFAOYSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine?
The IUPAC name of N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine (CID 12682622) is N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine.
What is the SMILES notation for N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine?
The canonical SMILES for N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine is CC(C)(C)N=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine?
The InChIKey is FRHUPASETRFWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2,3)10(12(4,5)6)14-13(7,8)9/h1-9H3.
What are the key properties of N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine?
N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine has a molecular weight of 197.37 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine is sourced from PubChem (CID 12682622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).