1-(3-tert-butylphenyl)ethanimine

C12H17N — CID 175635201

IUPAC1-(3-tert-butylphenyl)ethanimine
SMILES[H]/N=C(\C)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H17N/c1-9(13)10-6-5-7-11(8-10)12(2,3)4/h5-8,13H,1-4H3/b13-9+
InChIKeyAXCJHSGIDFCOTG-UKTHLTGXSA-N
MW175.27 g/mol
LogP3.37
Rot. Bonds1

About 1-(3-tert-butylphenyl)ethanimine

1-(3-tert-butylphenyl)ethanimine (PubChem CID 175635201) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)ethanimine.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)ethanimine
PubChem CID175635201
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-(3-tert-butylphenyl)ethanimine
SMILES[H]/N=C(\C)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H17N/c1-9(13)10-6-5-7-11(8-10)12(2,3)4/h5-8,13H,1-4H3/b13-9+
InChIKeyAXCJHSGIDFCOTG-UKTHLTGXSA-N
XLogP3.37
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)ethanimine
CID 20718021
1-(3-chlorophenyl)ethanimine;hydrate
CID 162337384
ethane;1-phenylethanimine
CID 91121262
1-(3-propan-2-yloxyphenyl)ethanimine
CID 144635422
1-(5-tert-butyl-2-methylphenyl)ethanimine
CID 175634188
1-[3-(3-ethylphenyl)phenyl]ethanimine
CID 145495072
3-ethanimidoyl-N,N-di(propan-2-yl)benzenecarboximidamide
CID 162277970
alumane;1,3-ditert-butylbenzene
CID 174392215
3-tert-butyl-N'-methylbenzenecarboximidamide
CID 123779224
1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine
CID 143554696
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]ethanimine
CID 59894352
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)ethanimine?
The IUPAC name of 1-(3-tert-butylphenyl)ethanimine (CID 175635201) is 1-(3-tert-butylphenyl)ethanimine.
What is the SMILES notation for 1-(3-tert-butylphenyl)ethanimine?
The canonical SMILES for 1-(3-tert-butylphenyl)ethanimine is [H]/N=C(\C)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)ethanimine?
The InChIKey is AXCJHSGIDFCOTG-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17N/c1-9(13)10-6-5-7-11(8-10)12(2,3)4/h5-8,13H,1-4H3/b13-9+.
What are the key properties of 1-(3-tert-butylphenyl)ethanimine?
1-(3-tert-butylphenyl)ethanimine has a molecular weight of 175.27 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)ethanimine is sourced from PubChem (CID 175635201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).