1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine

C12H16N2 — CID 134364137

IUPAC1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCCC2=C1NCCC2=C
InChIInChI=1S/C12H16N2/c1-8-6-7-14-12-10(8)4-3-5-11(12)9(2)13/h5,13-14H,1,3-4,6-7H2,2H3/b13-9+
InChIKeyNMQIJTPZQFKTES-UKTHLTGXSA-N
MW188.27 g/mol
LogP2.55
Rot. Bonds1

About 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine

1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine (PubChem CID 134364137) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine
PubChem CID134364137
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCCC2=C1NCCC2=C
InChIInChI=1S/C12H16N2/c1-8-6-7-14-12-10(8)4-3-5-11(12)9(2)13/h5,13-14H,1,3-4,6-7H2,2H3/b13-9+
InChIKeyNMQIJTPZQFKTES-UKTHLTGXSA-N
XLogP2.55
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
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 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine?
The IUPAC name of 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine (CID 134364137) is 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine.
What is the SMILES notation for 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine?
The canonical SMILES for 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine is [H]/N=C(\C)C1=CCCC2=C1NCCC2=C.
What is the InChIKey of 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine?
The InChIKey is NMQIJTPZQFKTES-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-6-7-14-12-10(8)4-3-5-11(12)9(2)13/h5,13-14H,1,3-4,6-7H2,2H3/b13-9+.
What are the key properties of 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine?
1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine has a molecular weight of 188.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine is sourced from PubChem (CID 134364137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).