N-ethynyl-1-(4-methylphenyl)ethanimine

C11H11N — CID 142108987

IUPACN-ethynyl-1-(4-methylphenyl)ethanimine
SMILESC#C/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C11H11N/c1-4-12-10(3)11-7-5-9(2)6-8-11/h1,5-8H,2-3H3/b12-10+
InChIKeyNJSANZOMWYKERU-ZRDIBKRKSA-N
MW157.22 g/mol
LogP2.39
Rot. Bonds1

About N-ethynyl-1-(4-methylphenyl)ethanimine

N-ethynyl-1-(4-methylphenyl)ethanimine (PubChem CID 142108987) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is N-ethynyl-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-ethynyl-1-(4-methylphenyl)ethanimine
PubChem CID142108987
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC NameN-ethynyl-1-(4-methylphenyl)ethanimine
SMILESC#C/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C11H11N/c1-4-12-10(3)11-7-5-9(2)6-8-11/h1,5-8H,2-3H3/b12-10+
InChIKeyNJSANZOMWYKERU-ZRDIBKRKSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.39
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

ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine
CID 121015502
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine
CID 166987269
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
CID 132538169
N-[1-(4-methylphenyl)ethylideneamino]fluoren-9-imine
CID 76538322
[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
CID 45098057
1-(4-methylphenyl)ethanone;molecular hydrogen;prop-2-yn-1-amine
CID 142174949
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328

Frequently Asked Questions

What is the IUPAC name of N-ethynyl-1-(4-methylphenyl)ethanimine?
The IUPAC name of N-ethynyl-1-(4-methylphenyl)ethanimine (CID 142108987) is N-ethynyl-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for N-ethynyl-1-(4-methylphenyl)ethanimine?
The canonical SMILES for N-ethynyl-1-(4-methylphenyl)ethanimine is C#C/N=C(\C)c1ccc(C)cc1.
What is the InChIKey of N-ethynyl-1-(4-methylphenyl)ethanimine?
The InChIKey is NJSANZOMWYKERU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H11N/c1-4-12-10(3)11-7-5-9(2)6-8-11/h1,5-8H,2-3H3/b12-10+.
What are the key properties of N-ethynyl-1-(4-methylphenyl)ethanimine?
N-ethynyl-1-(4-methylphenyl)ethanimine has a molecular weight of 157.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 142108987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).