2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline

C16H23N — CID 53440434

IUPAC2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline
SMILESCC(C)=CCc1ccc2c(c1)CCC(C)(C)N2
InChIInChI=1S/C16H23N/c1-12(2)5-6-13-7-8-15-14(11-13)9-10-16(3,4)17-15/h5,7-8,11,17H,6,9-10H2,1-4H3
InChIKeyYBAZSIPPTWTTTJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.33
Rot. Bonds2

About 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline

2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline (PubChem CID 53440434) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline
PubChem CID53440434
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline
SMILESCC(C)=CCc1ccc2c(c1)CCC(C)(C)N2
InChIInChI=1S/C16H23N/c1-12(2)5-6-13-7-8-15-14(11-13)9-10-16(3,4)17-15/h5,7-8,11,17H,6,9-10H2,1-4H3
InChIKeyYBAZSIPPTWTTTJ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline (CID 53440434) is 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline is CC(C)=CCc1ccc2c(c1)CCC(C)(C)N2.
What is the InChIKey of 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline?
The InChIKey is YBAZSIPPTWTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)5-6-13-7-8-15-14(11-13)9-10-16(3,4)17-15/h5,7-8,11,17H,6,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline?
2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline has a molecular weight of 229.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 53440434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).