8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C18H27N3 — CID 62096188

IUPAC8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1CCCc2cc(CN3C4CCC3CC(N)C4)ccc21
InChIInChI=1S/C18H27N3/c1-20-8-2-3-14-9-13(4-7-18(14)20)12-21-16-5-6-17(21)11-15(19)10-16/h4,7,9,15-17H,2-3,5-6,8,10-12,19H2,1H3
InChIKeyPPSKEKYEAKOKSI-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.52
Rot. Bonds2

About 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62096188) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62096188
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1CCCc2cc(CN3C4CCC3CC(N)C4)ccc21
InChIInChI=1S/C18H27N3/c1-20-8-2-3-14-9-13(4-7-18(14)20)12-21-16-5-6-17(21)11-15(19)10-16/h4,7,9,15-17H,2-3,5-6,8,10-12,19H2,1H3
InChIKeyPPSKEKYEAKOKSI-UHFFFAOYSA-N
XLogP2.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 62096188) is 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CN1CCCc2cc(CN3C4CCC3CC(N)C4)ccc21.
What is the InChIKey of 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PPSKEKYEAKOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-20-8-2-3-14-9-13(4-7-18(14)20)12-21-16-5-6-17(21)11-15(19)10-16/h4,7,9,15-17H,2-3,5-6,8,10-12,19H2,1H3.
What are the key properties of 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 285.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62096188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).