N-(2-propylphenyl)ethanimine

C11H15N — CID 67389044

IUPACN-(2-propylphenyl)ethanimine
SMILESC/C=N/c1ccccc1CCC
InChIInChI=1S/C11H15N/c1-3-7-10-8-5-6-9-11(10)12-4-2/h4-6,8-9H,3,7H2,1-2H3/b12-4+
InChIKeyXQZIUAHKMADLDO-UUILKARUSA-N
MW161.25 g/mol
LogP3.36
Rot. Bonds3

About N-(2-propylphenyl)ethanimine

N-(2-propylphenyl)ethanimine (PubChem CID 67389044) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2-propylphenyl)ethanimine.

Molecular Properties

Compound NameN-(2-propylphenyl)ethanimine
PubChem CID67389044
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(2-propylphenyl)ethanimine
SMILESC/C=N/c1ccccc1CCC
InChIInChI=1S/C11H15N/c1-3-7-10-8-5-6-9-11(10)12-4-2/h4-6,8-9H,3,7H2,1-2H3/b12-4+
InChIKeyXQZIUAHKMADLDO-UUILKARUSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.36
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

N-(2-propylphenyl)methanimine
CID 126659165
N'-(2-propylphenyl)propanimidamide
CID 63177634
3,3-dimethyl-N-(2-propylphenyl)butan-2-imine
CID 174269518
1-but-2-enyl-2-propylbenzene
CID 139617865
1-[(E)-hex-4-en-2-yl]-2-propylbenzene
CID 145391504
N,N'-bis(2-octacos-3-ynylphenyl)ethane-1,2-diimine;nickel
CID 87910880
1-prop-2-enyl-2-propylbenzene
CID 12585186
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-hept-3-enyl-2-propylbenzene
CID 91473483
N-(2,6-diethylphenyl)ethanimine;ethane
CID 177158667
1-decyl-2-isocyanatobenzene
CID 22218784

Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)ethanimine?
The IUPAC name of N-(2-propylphenyl)ethanimine (CID 67389044) is N-(2-propylphenyl)ethanimine.
What is the SMILES notation for N-(2-propylphenyl)ethanimine?
The canonical SMILES for N-(2-propylphenyl)ethanimine is C/C=N/c1ccccc1CCC.
What is the InChIKey of N-(2-propylphenyl)ethanimine?
The InChIKey is XQZIUAHKMADLDO-UUILKARUSA-N. The full InChI is InChI=1S/C11H15N/c1-3-7-10-8-5-6-9-11(10)12-4-2/h4-6,8-9H,3,7H2,1-2H3/b12-4+.
What are the key properties of N-(2-propylphenyl)ethanimine?
N-(2-propylphenyl)ethanimine has a molecular weight of 161.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)ethanimine is sourced from PubChem (CID 67389044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).