4-phenyl-N-propan-2-ylbutan-2-imine

C13H19N — CID 54463156

IUPAC4-phenyl-N-propan-2-ylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\C(C)C
InChIInChI=1S/C13H19N/c1-11(2)14-12(3)9-10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b14-12+
InChIKeyXDAGGQQKZZIBQO-WYMLVPIESA-N
MW189.30 g/mol
LogP3.49
Rot. Bonds4

About 4-phenyl-N-propan-2-ylbutan-2-imine

4-phenyl-N-propan-2-ylbutan-2-imine (PubChem CID 54463156) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-phenyl-N-propan-2-ylbutan-2-imine.

Molecular Properties

Compound Name4-phenyl-N-propan-2-ylbutan-2-imine
PubChem CID54463156
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-phenyl-N-propan-2-ylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\C(C)C
InChIInChI=1S/C13H19N/c1-11(2)14-12(3)9-10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b14-12+
InChIKeyXDAGGQQKZZIBQO-WYMLVPIESA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.49
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-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline
CID 9879368
6-Phenyl-2,3,4,5-tetrahydropyridine
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Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
1-Pyrroline, 3,3-diphenyl-2-ethyl-
CID 104403
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
Phenylacetone ketoxime
CID 5911834
N-Benzylidenepropylamine
CID 250250
Pyrazine, 2,3-dihydro-5,6-diphenyl-2-methyl-
CID 98291
Acetophenone, dimethylhydrazone
CID 6172446

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propan-2-ylbutan-2-imine?
The IUPAC name of 4-phenyl-N-propan-2-ylbutan-2-imine (CID 54463156) is 4-phenyl-N-propan-2-ylbutan-2-imine.
What is the SMILES notation for 4-phenyl-N-propan-2-ylbutan-2-imine?
The canonical SMILES for 4-phenyl-N-propan-2-ylbutan-2-imine is C/C(CCc1ccccc1)=N\C(C)C.
What is the InChIKey of 4-phenyl-N-propan-2-ylbutan-2-imine?
The InChIKey is XDAGGQQKZZIBQO-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)14-12(3)9-10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b14-12+.
What are the key properties of 4-phenyl-N-propan-2-ylbutan-2-imine?
4-phenyl-N-propan-2-ylbutan-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propan-2-ylbutan-2-imine is sourced from PubChem (CID 54463156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).