(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine

C11H14N2 — CID 12023374

IUPAC(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
SMILESC/C=N/N1CCCc2ccccc21
InChIInChI=1S/C11H14N2/c1-2-12-13-9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8H,5,7,9H2,1H3/b12-2+
InChIKeyDQUPRVUWYAXGBN-SWGQDTFXSA-N
MW174.25 g/mol
LogP2.44
Rot. Bonds1

About (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine

(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine (PubChem CID 12023374) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
PubChem CID12023374
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
SMILESC/C=N/N1CCCc2ccccc21
InChIInChI=1S/C11H14N2/c1-2-12-13-9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8H,5,7,9H2,1H3/b12-2+
InChIKeyDQUPRVUWYAXGBN-SWGQDTFXSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine?
The IUPAC name of (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine (CID 12023374) is (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine.
What is the SMILES notation for (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine?
The canonical SMILES for (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine is C/C=N/N1CCCc2ccccc21.
What is the InChIKey of (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine?
The InChIKey is DQUPRVUWYAXGBN-SWGQDTFXSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-12-13-9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8H,5,7,9H2,1H3/b12-2+.
What are the key properties of (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine?
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine has a molecular weight of 174.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine is sourced from PubChem (CID 12023374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).