ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine

C15H23NO — CID 143900193

IUPACethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine
SMILESCC.CC(C)=NOC(=C(C)C)c1ccccc1
InChIInChI=1S/C13H17NO.C2H6/c1-10(2)13(15-14-11(3)4)12-8-6-5-7-9-12;1-2/h5-9H,1-4H3;1-2H3
InChIKeyJLENLRREJYQMPC-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.88
Rot. Bonds3

About ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine

ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine (PubChem CID 143900193) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine.

Molecular Properties

Compound Nameethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine
PubChem CID143900193
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Nameethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine
SMILESCC.CC(C)=NOC(=C(C)C)c1ccccc1
InChIInChI=1S/C13H17NO.C2H6/c1-10(2)13(15-14-11(3)4)12-8-6-5-7-9-12;1-2/h5-9H,1-4H3;1-2H3
InChIKeyJLENLRREJYQMPC-UHFFFAOYSA-N
XLogP4.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
CID 57127661
[(2-bromo-1-phenylethylidene)amino] acetate
CID 86233217
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone
CID 13127036
[(E)-1-phenylethylideneamino] acetate
CID 5392489
(2-methyl-1-pentoxyprop-1-enyl)benzene
CID 162689985
N'-methoxybenzenecarboximidamide
CID 10678407
ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
CID 172950425
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
CID 12637249
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine?
The IUPAC name of ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine (CID 143900193) is ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine.
What is the SMILES notation for ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine?
The canonical SMILES for ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine is CC.CC(C)=NOC(=C(C)C)c1ccccc1.
What is the InChIKey of ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine?
The InChIKey is JLENLRREJYQMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-10(2)13(15-14-11(3)4)12-8-6-5-7-9-12;1-2/h5-9H,1-4H3;1-2H3.
What are the key properties of ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine?
ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine has a molecular weight of 233.35 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methyl-1-phenylprop-1-enoxy)propan-2-imine is sourced from PubChem (CID 143900193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).