N-ethenyl-2-methyl-2-phenylpropan-1-imine

C12H15N — CID 138613218

IUPACN-ethenyl-2-methyl-2-phenylpropan-1-imine
SMILESC=C/N=C/C(C)(C)c1ccccc1
InChIInChI=1S/C12H15N/c1-4-13-10-12(2,3)11-8-6-5-7-9-11/h4-10H,1H2,2-3H3/b13-10+
InChIKeyVBVHYUXHHUXREC-JLHYYAGUSA-N
MW173.26 g/mol
LogP3.18
Rot. Bonds3

About N-ethenyl-2-methyl-2-phenylpropan-1-imine

N-ethenyl-2-methyl-2-phenylpropan-1-imine (PubChem CID 138613218) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethenyl-2-methyl-2-phenylpropan-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-methyl-2-phenylpropan-1-imine
PubChem CID138613218
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-ethenyl-2-methyl-2-phenylpropan-1-imine
SMILESC=C/N=C/C(C)(C)c1ccccc1
InChIInChI=1S/C12H15N/c1-4-13-10-12(2,3)11-8-6-5-7-9-11/h4-10H,1H2,2-3H3/b13-10+
InChIKeyVBVHYUXHHUXREC-JLHYYAGUSA-N
XLogP3.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.18
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

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tert-butylbenzene;methanimine
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[(Z)-2,7-dimethyl-7-phenyloct-3-en-5-yn-2-yl]benzene
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1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
CID 54473536
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1,4-bis(1-ethenoxy-1-phenylethyl)benzene
CID 22935837
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
tert-butylbenzene;chloromethane;ethane
CID 91149652
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-2-phenylpropan-1-imine?
The IUPAC name of N-ethenyl-2-methyl-2-phenylpropan-1-imine (CID 138613218) is N-ethenyl-2-methyl-2-phenylpropan-1-imine.
What is the SMILES notation for N-ethenyl-2-methyl-2-phenylpropan-1-imine?
The canonical SMILES for N-ethenyl-2-methyl-2-phenylpropan-1-imine is C=C/N=C/C(C)(C)c1ccccc1.
What is the InChIKey of N-ethenyl-2-methyl-2-phenylpropan-1-imine?
The InChIKey is VBVHYUXHHUXREC-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15N/c1-4-13-10-12(2,3)11-8-6-5-7-9-11/h4-10H,1H2,2-3H3/b13-10+.
What are the key properties of N-ethenyl-2-methyl-2-phenylpropan-1-imine?
N-ethenyl-2-methyl-2-phenylpropan-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-2-phenylpropan-1-imine is sourced from PubChem (CID 138613218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).