1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline

C22H32N2 — CID 69033782

IUPAC1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline
SMILESC=CCC1CC2CCC(C1)N2CCCN1CCCc2ccccc21
InChIInChI=1S/C22H32N2/c1-2-7-18-16-20-11-12-21(17-18)24(20)15-6-14-23-13-5-9-19-8-3-4-10-22(19)23/h2-4,8,10,18,20-21H,1,5-7,9,11-17H2
InChIKeyRJCZGBHJGFXMNB-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.65
Rot. Bonds6

About 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline

1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline (PubChem CID 69033782) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline
PubChem CID69033782
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline
SMILESC=CCC1CC2CCC(C1)N2CCCN1CCCc2ccccc21
InChIInChI=1S/C22H32N2/c1-2-7-18-16-20-11-12-21(17-18)24(20)15-6-14-23-13-5-9-19-8-3-4-10-22(19)23/h2-4,8,10,18,20-21H,1,5-7,9,11-17H2
InChIKeyRJCZGBHJGFXMNB-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline (CID 69033782) is 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline is C=CCC1CC2CCC(C1)N2CCCN1CCCc2ccccc21.
What is the InChIKey of 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline?
The InChIKey is RJCZGBHJGFXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-2-7-18-16-20-11-12-21(17-18)24(20)15-6-14-23-13-5-9-19-8-3-4-10-22(19)23/h2-4,8,10,18,20-21H,1,5-7,9,11-17H2.
What are the key properties of 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline?
1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline has a molecular weight of 324.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 69033782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).