3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane

C19H24N2 — CID 81495302

IUPAC3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(c1ccc2ccccc2c1)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H24N2/c1-14(21-11-10-18-8-9-19(13-21)20-18)16-7-6-15-4-2-3-5-17(15)12-16/h2-7,12,14,18-20H,8-11,13H2,1H3
InChIKeyPMIATINPFRUHCO-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.73
Rot. Bonds2

About 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane

3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 81495302) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID81495302
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(c1ccc2ccccc2c1)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H24N2/c1-14(21-11-10-18-8-9-19(13-21)20-18)16-7-6-15-4-2-3-5-17(15)12-16/h2-7,12,14,18-20H,8-11,13H2,1H3
InChIKeyPMIATINPFRUHCO-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
3-(1-pyridin-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490535
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
3-[1-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 113284725
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
1-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]imidazolidin-2-one
CID 94646190
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
3-[1-(2,4-difluorophenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491116
3-[1-(2,5-dimethoxyphenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313891

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane (CID 81495302) is 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane is CC(c1ccc2ccccc2c1)N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is PMIATINPFRUHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14(21-11-10-18-8-9-19(13-21)20-18)16-7-6-15-4-2-3-5-17(15)12-16/h2-7,12,14,18-20H,8-11,13H2,1H3.
What are the key properties of 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 280.42 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 81495302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).