N-tert-butyl-2,2-diethylpent-4-en-1-imine

C13H25N — CID 101024642

IUPACN-tert-butyl-2,2-diethylpent-4-en-1-imine
SMILESC=CCC(/C=N/C(C)(C)C)(CC)CC
InChIInChI=1S/C13H25N/c1-7-10-13(8-2,9-3)11-14-12(4,5)6/h7,11H,1,8-10H2,2-6H3/b14-11+
InChIKeyPQILIEKCPZTGIB-SDNWHVSQSA-N
MW195.35 g/mol
LogP4.24
Rot. Bonds5

About N-tert-butyl-2,2-diethylpent-4-en-1-imine

N-tert-butyl-2,2-diethylpent-4-en-1-imine (PubChem CID 101024642) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethylpent-4-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethylpent-4-en-1-imine
PubChem CID101024642
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-tert-butyl-2,2-diethylpent-4-en-1-imine
SMILESC=CCC(/C=N/C(C)(C)C)(CC)CC
InChIInChI=1S/C13H25N/c1-7-10-13(8-2,9-3)11-14-12(4,5)6/h7,11H,1,8-10H2,2-6H3/b14-11+
InChIKeyPQILIEKCPZTGIB-SDNWHVSQSA-N
XLogP4.24
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 ≤ 54.24
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-2,2-diethylpent-4-en-1-imine?
The IUPAC name of N-tert-butyl-2,2-diethylpent-4-en-1-imine (CID 101024642) is N-tert-butyl-2,2-diethylpent-4-en-1-imine.
What is the SMILES notation for N-tert-butyl-2,2-diethylpent-4-en-1-imine?
The canonical SMILES for N-tert-butyl-2,2-diethylpent-4-en-1-imine is C=CCC(/C=N/C(C)(C)C)(CC)CC.
What is the InChIKey of N-tert-butyl-2,2-diethylpent-4-en-1-imine?
The InChIKey is PQILIEKCPZTGIB-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H25N/c1-7-10-13(8-2,9-3)11-14-12(4,5)6/h7,11H,1,8-10H2,2-6H3/b14-11+.
What are the key properties of N-tert-butyl-2,2-diethylpent-4-en-1-imine?
N-tert-butyl-2,2-diethylpent-4-en-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.24, 5 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-diethylpent-4-en-1-imine is sourced from PubChem (CID 101024642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).