(6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine

C17H26N2 — CID 168983879

IUPAC(6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine
SMILESCC/N=C1\C2=C(C=C\C1=C(\C)CC)N(CC)CCC2
InChIInChI=1S/C17H26N2/c1-5-13(4)14-10-11-16-15(17(14)18-6-2)9-8-12-19(16)7-3/h10-11H,5-9,12H2,1-4H3/b14-13+,18-17-
InChIKeyQFPRWAJLOJBWHC-ZOHXKJJCSA-N
MW258.41 g/mol
LogP4.11
Rot. Bonds3

About (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine

(6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine (PubChem CID 168983879) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine.

Molecular Properties

Compound Name(6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine
PubChem CID168983879
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine
SMILESCC/N=C1\C2=C(C=C\C1=C(\C)CC)N(CC)CCC2
InChIInChI=1S/C17H26N2/c1-5-13(4)14-10-11-16-15(17(14)18-6-2)9-8-12-19(16)7-3/h10-11H,5-9,12H2,1-4H3/b14-13+,18-17-
InChIKeyQFPRWAJLOJBWHC-ZOHXKJJCSA-N
XLogP4.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.11
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 (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine?
The IUPAC name of (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine (CID 168983879) is (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine.
What is the SMILES notation for (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine?
The canonical SMILES for (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine is CC/N=C1\C2=C(C=C\C1=C(\C)CC)N(CC)CCC2.
What is the InChIKey of (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine?
The InChIKey is QFPRWAJLOJBWHC-ZOHXKJJCSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-13(4)14-10-11-16-15(17(14)18-6-2)9-8-12-19(16)7-3/h10-11H,5-9,12H2,1-4H3/b14-13+,18-17-.
What are the key properties of (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine?
(6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine has a molecular weight of 258.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-butan-2-ylidene-N,1-diethyl-3,4-dihydro-2H-quinolin-5-imine is sourced from PubChem (CID 168983879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).