N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine

C18H28N2 — CID 171819798

IUPACN-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine
SMILESCCC1=C/C(=N\C(C)CC)C=C2C1=NC(C)(C)CC2C
InChIInChI=1S/C18H28N2/c1-7-13(4)19-15-9-14(8-2)17-16(10-15)12(3)11-18(5,6)20-17/h9-10,12-13H,7-8,11H2,1-6H3/b19-15+
InChIKeyNEDGLNVHMWSORB-XDJHFCHBSA-N
MW272.44 g/mol
LogP4.76
Rot. Bonds3

About N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine

N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine (PubChem CID 171819798) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine.

Molecular Properties

Compound NameN-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine
PubChem CID171819798
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine
SMILESCCC1=C/C(=N\C(C)CC)C=C2C1=NC(C)(C)CC2C
InChIInChI=1S/C18H28N2/c1-7-13(4)19-15-9-14(8-2)17-16(10-15)12(3)11-18(5,6)20-17/h9-10,12-13H,7-8,11H2,1-6H3/b19-15+
InChIKeyNEDGLNVHMWSORB-XDJHFCHBSA-N
XLogP4.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
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(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 67595251
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2-Methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
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2,2,3,4-tetramethyl-4,6-dihydro-3H-quinoline
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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine?
The IUPAC name of N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine (CID 171819798) is N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine.
What is the SMILES notation for N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine?
The canonical SMILES for N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine is CCC1=C/C(=N\C(C)CC)C=C2C1=NC(C)(C)CC2C.
What is the InChIKey of N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine?
The InChIKey is NEDGLNVHMWSORB-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-13(4)19-15-9-14(8-2)17-16(10-15)12(3)11-18(5,6)20-17/h9-10,12-13H,7-8,11H2,1-6H3/b19-15+.
What are the key properties of N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine?
N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine has a molecular weight of 272.44 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine is sourced from PubChem (CID 171819798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).