N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide

C13H18N2O — CID 145194732

IUPACN'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide
SMILESC=C(/N=C(\C)N)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C13H18N2O/c1-9(15-10(2)14)11-5-7-12(8-6-11)13(3,4)16/h5-8,16H,1H2,2-4H3,(H2,14,15)
InChIKeySVCWGBXLUUWADB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.26
Rot. Bonds3

About N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide

N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide (PubChem CID 145194732) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide
PubChem CID145194732
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide
SMILESC=C(/N=C(\C)N)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C13H18N2O/c1-9(15-10(2)14)11-5-7-12(8-6-11)13(3,4)16/h5-8,16H,1H2,2-4H3,(H2,14,15)
InChIKeySVCWGBXLUUWADB-UHFFFAOYSA-N
XLogP2.26
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide?
The IUPAC name of N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide (CID 145194732) is N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide.
What is the SMILES notation for N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide?
The canonical SMILES for N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide is C=C(/N=C(\C)N)c1ccc(C(C)(C)O)cc1.
What is the InChIKey of N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide?
The InChIKey is SVCWGBXLUUWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(15-10(2)14)11-5-7-12(8-6-11)13(3,4)16/h5-8,16H,1H2,2-4H3,(H2,14,15).
What are the key properties of N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide?
N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide has a molecular weight of 218.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(2-hydroxypropan-2-yl)phenyl]ethenyl]ethanimidamide is sourced from PubChem (CID 145194732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).