N-(2-phenylpropan-2-yl)ethanimine

C11H15N — CID 58860743

IUPACN-(2-phenylpropan-2-yl)ethanimine
SMILESC/C=N/C(C)(C)c1ccccc1
InChIInChI=1S/C11H15N/c1-4-12-11(2,3)10-8-6-5-7-9-10/h4-9H,1-3H3/b12-4+
InChIKeyDPVCWMWIHPWOKJ-UUILKARUSA-N
MW161.25 g/mol
LogP3.01
Rot. Bonds2

About N-(2-phenylpropan-2-yl)ethanimine

N-(2-phenylpropan-2-yl)ethanimine (PubChem CID 58860743) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)ethanimine.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)ethanimine
PubChem CID58860743
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(2-phenylpropan-2-yl)ethanimine
SMILESC/C=N/C(C)(C)c1ccccc1
InChIInChI=1S/C11H15N/c1-4-12-11(2,3)10-8-6-5-7-9-10/h4-9H,1-3H3/b12-4+
InChIKeyDPVCWMWIHPWOKJ-UUILKARUSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.01
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-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
[(E)-2-phenylpent-3-en-2-yl]benzene
CID 14338227
[(Z)-2-methylpent-3-en-2-yl]benzene
CID 154027835
2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine
CID 172559371
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
1-(benzylideneamino)-1-phenylethanol
CID 154107002
3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
CID 10514054

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)ethanimine?
The IUPAC name of N-(2-phenylpropan-2-yl)ethanimine (CID 58860743) is N-(2-phenylpropan-2-yl)ethanimine.
What is the SMILES notation for N-(2-phenylpropan-2-yl)ethanimine?
The canonical SMILES for N-(2-phenylpropan-2-yl)ethanimine is C/C=N/C(C)(C)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)ethanimine?
The InChIKey is DPVCWMWIHPWOKJ-UUILKARUSA-N. The full InChI is InChI=1S/C11H15N/c1-4-12-11(2,3)10-8-6-5-7-9-10/h4-9H,1-3H3/b12-4+.
What are the key properties of N-(2-phenylpropan-2-yl)ethanimine?
N-(2-phenylpropan-2-yl)ethanimine has a molecular weight of 161.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)ethanimine is sourced from PubChem (CID 58860743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).