3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane

C17H24N2 — CID 115313813

IUPAC3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESc1ccc2c(c1)CCC(N1CCC3CCC(C1)N3)C2
InChIInChI=1S/C17H24N2/c1-2-4-14-11-17(8-5-13(14)3-1)19-10-9-15-6-7-16(12-19)18-15/h1-4,15-18H,5-12H2
InChIKeyUOSUOCLJGAEPER-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.37
Rot. Bonds1

About 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115313813) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115313813
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESc1ccc2c(c1)CCC(N1CCC3CCC(C1)N3)C2
InChIInChI=1S/C17H24N2/c1-2-4-14-11-17(8-5-13(14)3-1)19-10-9-15-6-7-16(12-19)18-15/h1-4,15-18H,5-12H2
InChIKeyUOSUOCLJGAEPER-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-amine
CID 62068570
1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 3596803
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 156837949
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 10199984
3-(3,4-dihydro-1H-isochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 107150003
N-(cyclopropylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
CID 115306943
3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
CID 115313678
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
CID 65059978
4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one
CID 138385658
3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 116531514
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119989110

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 115313813) is 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane is c1ccc2c(c1)CCC(N1CCC3CCC(C1)N3)C2.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is UOSUOCLJGAEPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-4-14-11-17(8-5-13(14)3-1)19-10-9-15-6-7-16(12-19)18-15/h1-4,15-18H,5-12H2.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 256.39 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115313813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).