N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine

C16H19N — CID 11107031

IUPACN-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine
SMILESC=C(C)C#Cc1ccccc1/C=N/C(C)(C)C
InChIInChI=1S/C16H19N/c1-13(2)10-11-14-8-6-7-9-15(14)12-17-16(3,4)5/h6-9,12H,1H2,2-5H3/b17-12+
InChIKeyWGEOQLCPFDXCRG-SFQUDFHCSA-N
MW225.33 g/mol
LogP3.83
Rot. Bonds1

About N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine

N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine (PubChem CID 11107031) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine
PubChem CID11107031
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC NameN-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine
SMILESC=C(C)C#Cc1ccccc1/C=N/C(C)(C)C
InChIInChI=1S/C16H19N/c1-13(2)10-11-14-8-6-7-9-15(14)12-17-16(3,4)5/h6-9,12H,1H2,2-5H3/b17-12+
InChIKeyWGEOQLCPFDXCRG-SFQUDFHCSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-Benzylidenepropylamine
CID 250250
2-Methylbenzaldehyde azine
CID 9580346
1-(2-but-3-ynylphenyl)-N-methylmethanimine oxide
CID 42628277
Decylamine, N-benzylidene-
CID 525554
Benzylideneoctylamine
CID 525558
(E)-N-isopentyl-1-phenylmethanimine
CID 15061859
Hexylamine, N-benzylidene-
CID 525556
1-Pentanamine, N-(phenylmethylene)-
CID 525559

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine?
The IUPAC name of N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine (CID 11107031) is N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine is C=C(C)C#Cc1ccccc1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine?
The InChIKey is WGEOQLCPFDXCRG-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H19N/c1-13(2)10-11-14-8-6-7-9-15(14)12-17-16(3,4)5/h6-9,12H,1H2,2-5H3/b17-12+.
What are the key properties of N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine?
N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine has a molecular weight of 225.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(3-methylbut-3-en-1-ynyl)phenyl]methanimine is sourced from PubChem (CID 11107031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).