1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine

C14H19N — CID 129213458

IUPAC1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine
SMILESC=C(C)/N=C/c1cc(C(C)C)ccc1C
InChIInChI=1S/C14H19N/c1-10(2)13-7-6-12(5)14(8-13)9-15-11(3)4/h6-10H,3H2,1-2,4-5H3/b15-9+
InChIKeyAFHQDZJQIWDTNK-OQLLNIDSSA-N
MW201.31 g/mol
LogP4.07
Rot. Bonds3

About 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine

1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine (PubChem CID 129213458) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine
PubChem CID129213458
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine
SMILESC=C(C)/N=C/c1cc(C(C)C)ccc1C
InChIInChI=1S/C14H19N/c1-10(2)13-7-6-12(5)14(8-13)9-15-11(3)4/h6-10H,3H2,1-2,4-5H3/b15-9+
InChIKeyAFHQDZJQIWDTNK-OQLLNIDSSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.07
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-ethenyl-1-methyl-4-propan-2-ylbenzene;methane
CID 142106307
[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
CID 121013846
2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol
CID 166146990
2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol
CID 137302638
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2,8-di(propan-2-yl)phenazine
CID 70800003
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-ethenyl-4-propan-2-ylbenzenethiol
CID 155112064
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
2-[3-[2-[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-4-propan-2-ylphenol
CID 135587662

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine?
The IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine (CID 129213458) is 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine.
What is the SMILES notation for 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine?
The canonical SMILES for 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine is C=C(C)/N=C/c1cc(C(C)C)ccc1C.
What is the InChIKey of 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine?
The InChIKey is AFHQDZJQIWDTNK-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H19N/c1-10(2)13-7-6-12(5)14(8-13)9-15-11(3)4/h6-10H,3H2,1-2,4-5H3/b15-9+.
What are the key properties of 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine?
1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine has a molecular weight of 201.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 129213458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).