3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine

C17H22N2 — CID 18644461

IUPAC3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine
SMILESCC1=CNC2C(=C1)CCC/C2=N\C1=CC=C(C)CC1
InChIInChI=1S/C17H22N2/c1-12-6-8-15(9-7-12)19-16-5-3-4-14-10-13(2)11-18-17(14)16/h6,8,10-11,17-18H,3-5,7,9H2,1-2H3/b19-16+
InChIKeyQAACCAIWJGBBTE-KNTRCKAVSA-N
MW254.38 g/mol
LogP4.04
Rot. Bonds1

About 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine

3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine (PubChem CID 18644461) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine.

Molecular Properties

Compound Name3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine
PubChem CID18644461
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine
SMILESCC1=CNC2C(=C1)CCC/C2=N\C1=CC=C(C)CC1
InChIInChI=1S/C17H22N2/c1-12-6-8-15(9-7-12)19-16-5-3-4-14-10-13(2)11-18-17(14)16/h6,8,10-11,17-18H,3-5,7,9H2,1-2H3/b19-16+
InChIKeyQAACCAIWJGBBTE-KNTRCKAVSA-N
XLogP4.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
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 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine?
The IUPAC name of 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine (CID 18644461) is 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine.
What is the SMILES notation for 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine?
The canonical SMILES for 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine is CC1=CNC2C(=C1)CCC/C2=N\C1=CC=C(C)CC1.
What is the InChIKey of 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine?
The InChIKey is QAACCAIWJGBBTE-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-6-8-15(9-7-12)19-16-5-3-4-14-10-13(2)11-18-17(14)16/h6,8,10-11,17-18H,3-5,7,9H2,1-2H3/b19-16+.
What are the key properties of 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine?
3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine has a molecular weight of 254.38 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-5,6,7,8a-tetrahydro-1H-quinolin-8-imine is sourced from PubChem (CID 18644461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).