ethane;N-phenylethanimine

C10H15N — CID 91127812

IUPACethane;N-phenylethanimine
SMILESC/C=N/c1ccccc1.CC
InChIInChI=1S/C8H9N.C2H6/c1-2-9-8-6-4-3-5-7-8;1-2/h2-7H,1H3;1-2H3/b9-2+;
InChIKeyQDRRDAVEIOCTLR-ZUKRFDGTSA-N
MW149.24 g/mol
LogP3.43
Rot. Bonds1

About ethane;N-phenylethanimine

ethane;N-phenylethanimine (PubChem CID 91127812) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is ethane;N-phenylethanimine.

Molecular Properties

Compound Nameethane;N-phenylethanimine
PubChem CID91127812
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Nameethane;N-phenylethanimine
SMILESC/C=N/c1ccccc1.CC
InChIInChI=1S/C8H9N.C2H6/c1-2-9-8-6-4-3-5-7-8;1-2/h2-7H,1H3;1-2H3/b9-2+;
InChIKeyQDRRDAVEIOCTLR-ZUKRFDGTSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-phenylethanimine?
The IUPAC name of ethane;N-phenylethanimine (CID 91127812) is ethane;N-phenylethanimine.
What is the SMILES notation for ethane;N-phenylethanimine?
The canonical SMILES for ethane;N-phenylethanimine is C/C=N/c1ccccc1.CC.
What is the InChIKey of ethane;N-phenylethanimine?
The InChIKey is QDRRDAVEIOCTLR-ZUKRFDGTSA-N. The full InChI is InChI=1S/C8H9N.C2H6/c1-2-9-8-6-4-3-5-7-8;1-2/h2-7H,1H3;1-2H3/b9-2+;.
What are the key properties of ethane;N-phenylethanimine?
ethane;N-phenylethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-phenylethanimine is sourced from PubChem (CID 91127812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).