N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine

C18H28N2 — CID 89422940

IUPACN-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine
SMILESCCC/C(=N\C(C)(C)C)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H28N2/c1-6-8-16(19-18(2,3)4)14-10-11-17-15(13-14)9-7-12-20(17)5/h10-11,13H,6-9,12H2,1-5H3/b19-16+
InChIKeyLXRNHRGPDHYGCM-KNTRCKAVSA-N
MW272.44 g/mol
LogP4.46
Rot. Bonds3

About N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine

N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine (PubChem CID 89422940) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine
PubChem CID89422940
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine
SMILESCCC/C(=N\C(C)(C)C)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C18H28N2/c1-6-8-16(19-18(2,3)4)14-10-11-17-15(13-14)9-7-12-20(17)5/h10-11,13H,6-9,12H2,1-5H3/b19-16+
InChIKeyLXRNHRGPDHYGCM-KNTRCKAVSA-N
XLogP4.46
TPSA15.60 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 ≤ 54.46
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 N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine?
The IUPAC name of N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine (CID 89422940) is N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine.
What is the SMILES notation for N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine?
The canonical SMILES for N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine is CCC/C(=N\C(C)(C)C)c1ccc2c(c1)CCCN2C.
What is the InChIKey of N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine?
The InChIKey is LXRNHRGPDHYGCM-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H28N2/c1-6-8-16(19-18(2,3)4)14-10-11-17-15(13-14)9-7-12-20(17)5/h10-11,13H,6-9,12H2,1-5H3/b19-16+.
What are the key properties of N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine?
N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine has a molecular weight of 272.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-imine is sourced from PubChem (CID 89422940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).