[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

C18H27N3 — CID 63465982

IUPAC[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1Cc2ccccc2N(C2(CN)CN3CCC2CC3)C1
InChIInChI=1S/C18H27N3/c1-14-10-15-4-2-3-5-17(15)21(11-14)18(12-19)13-20-8-6-16(18)7-9-20/h2-5,14,16H,6-13,19H2,1H3
InChIKeyDBMVIDDEZMRMNS-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.11
Rot. Bonds2

About [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 63465982) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID63465982
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1Cc2ccccc2N(C2(CN)CN3CCC2CC3)C1
InChIInChI=1S/C18H27N3/c1-14-10-15-4-2-3-5-17(15)21(11-14)18(12-19)13-20-8-6-16(18)7-9-20/h2-5,14,16H,6-13,19H2,1H3
InChIKeyDBMVIDDEZMRMNS-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 63465982) is [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CC1Cc2ccccc2N(C2(CN)CN3CCC2CC3)C1.
What is the InChIKey of [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is DBMVIDDEZMRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-10-15-4-2-3-5-17(15)21(11-14)18(12-19)13-20-8-6-16(18)7-9-20/h2-5,14,16H,6-13,19H2,1H3.
What are the key properties of [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine has a molecular weight of 285.43 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 63465982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).