(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine

C11H21N — CID 10464698

IUPAC(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
SMILESCC(C)(C)/C=C/C=N/C(C)(C)C
InChIInChI=1S/C11H21N/c1-10(2,3)8-7-9-12-11(4,5)6/h7-9H,1-6H3/b8-7+,12-9+
InChIKeyMORIUZWUFHOXCG-ANKZSMJWSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds1

About (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine

(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine (PubChem CID 10464698) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
PubChem CID10464698
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
SMILESCC(C)(C)/C=C/C=N/C(C)(C)C
InChIInChI=1S/C11H21N/c1-10(2,3)8-7-9-12-11(4,5)6/h7-9H,1-6H3/b8-7+,12-9+
InChIKeyMORIUZWUFHOXCG-ANKZSMJWSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
3,3-Dimethylpyridine
CID 129722078
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
(E)-N-ethyl-3,4,4-trimethylpent-2-en-1-imine
CID 14919831
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
(4Z,8Z)-2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
CID 20436152
(4Z,8Z)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 20436153
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 22811541
(4E,8E)-2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
CID 22815073
3,12,12-Trimethyl-1-aza-1,5,9-cyclododecatriene
CID 53687623

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine?
The IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine (CID 10464698) is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine.
What is the SMILES notation for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine?
The canonical SMILES for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine is CC(C)(C)/C=C/C=N/C(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine?
The InChIKey is MORIUZWUFHOXCG-ANKZSMJWSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)8-7-9-12-11(4,5)6/h7-9H,1-6H3/b8-7+,12-9+.
What are the key properties of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine?
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine is sourced from PubChem (CID 10464698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).