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

C18H22N2 — CID 81495523

IUPAC3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESc1ccc2c(CN3CCC4CCC(C3)N4)cccc2c1
InChIInChI=1S/C18H22N2/c1-2-7-18-14(4-1)5-3-6-15(18)12-20-11-10-16-8-9-17(13-20)19-16/h1-7,16-17,19H,8-13H2
InChIKeyJORMGCWVJVRPQM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.17
Rot. Bonds2

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

3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 81495523) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID81495523
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESc1ccc2c(CN3CCC4CCC(C3)N4)cccc2c1
InChIInChI=1S/C18H22N2/c1-2-7-18-14(4-1)5-3-6-15(18)12-20-11-10-16-8-9-17(13-20)19-16/h1-7,16-17,19H,8-13H2
InChIKeyJORMGCWVJVRPQM-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)phenol
CID 115313739
3-[(2-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927319
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
3-bromo-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 80675511
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
3-chloro-1-(naphthalen-1-ylmethyl)piperidine
CID 55182607
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol
CID 114511208

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane (CID 81495523) is 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane is c1ccc2c(CN3CCC4CCC(C3)N4)cccc2c1.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is JORMGCWVJVRPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-7-18-14(4-1)5-3-6-15(18)12-20-11-10-16-8-9-17(13-20)19-16/h1-7,16-17,19H,8-13H2.
What are the key properties of 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 266.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 81495523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).