N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine

C16H23N — CID 170132972

IUPACN-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine
SMILESC=N/C=C(/c1cccc(C(C)(C)C)c1)C(C)C
InChIInChI=1S/C16H23N/c1-12(2)15(11-17-6)13-8-7-9-14(10-13)16(3,4)5/h7-12H,6H2,1-5H3/b15-11+
InChIKeyRZEZFSQCTOEKRH-RVDMUPIBSA-N
MW229.37 g/mol
LogP4.68
Rot. Bonds3

About N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine

N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine (PubChem CID 170132972) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine
PubChem CID170132972
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine
SMILESC=N/C=C(/c1cccc(C(C)(C)C)c1)C(C)C
InChIInChI=1S/C16H23N/c1-12(2)15(11-17-6)13-8-7-9-14(10-13)16(3,4)5/h7-12H,6H2,1-5H3/b15-11+
InChIKeyRZEZFSQCTOEKRH-RVDMUPIBSA-N
XLogP4.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.68
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

1-tert-butyl-3-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]benzene
CID 145083384
3-tert-butyl-N'-methylbenzenecarboximidamide
CID 123779224
(Z)-1-(3-tert-butylphenyl)-N-ethenyl-N-methylethene-1,2-diamine
CID 146647087
alumane;1,3-ditert-butylbenzene
CID 174392215
1-(3-tert-butylphenyl)ethanimine
CID 175635201
(Z)-3-(3-fluorophenyl)-4-methylpent-2-en-1-ol
CID 115019860
3-[1-(3-tert-butylphenyl)ethyl]benzoic acid
CID 175005930
3-(2-methyl-3-sulfanylbutan-2-yl)benzoic acid
CID 115034640
N-[1-(3-tert-butylphenyl)ethenyl]heptan-4-amine
CID 138509967
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 141033390
2-(3-tert-butylphenyl)sulfonylpropanoic acid
CID 70809975

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine (CID 170132972) is N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine is C=N/C=C(/c1cccc(C(C)(C)C)c1)C(C)C.
What is the InChIKey of N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine?
The InChIKey is RZEZFSQCTOEKRH-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)15(11-17-6)13-8-7-9-14(10-13)16(3,4)5/h7-12H,6H2,1-5H3/b15-11+.
What are the key properties of N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine?
N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine has a molecular weight of 229.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-tert-butylphenyl)-3-methylbut-1-enyl]methanimine is sourced from PubChem (CID 170132972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).