4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile

C18H18N2 — CID 45486128

IUPAC4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2[C@H]3CCC[C@H]2CC3)c2ccccc12
InChIInChI=1S/C18H18N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-2,6-8,11,14-15H,3-5,9-10H2/t14-,15-/m0/s1
InChIKeyXPRKBAZJWZDANH-GJZGRUSLSA-N
MW262.36 g/mol
LogP4.23
Rot. Bonds1

About 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile

4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile (PubChem CID 45486128) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
PubChem CID45486128
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2[C@H]3CCC[C@H]2CC3)c2ccccc12
InChIInChI=1S/C18H18N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-2,6-8,11,14-15H,3-5,9-10H2/t14-,15-/m0/s1
InChIKeyXPRKBAZJWZDANH-GJZGRUSLSA-N
XLogP4.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fddnp F-18
CID 449685
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4-[(2S)-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68707868
4-[(2S,3R)-3-hydroxy-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
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4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68710983
(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile
CID 68713946
4-(3-Endo-hydroxy-8-azabicyclo[3.2.1]oct-8-yl)naphthalene-1-carbonitrile
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4,5-Bis(dimethylamino)naphthalene-1-carbonitrile
CID 2327119
2-(1-[6-(Dimethylamino)-2-naphthyl]ethylidene)malononitrile
CID 9903341
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CID 9904204
4-Pyrrolidin-1-ylnaphthalene-1-carbonitrile
CID 11715539

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile (CID 45486128) is 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile is N#Cc1ccc(N2[C@H]3CCC[C@H]2CC3)c2ccccc12.
What is the InChIKey of 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The InChIKey is XPRKBAZJWZDANH-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H18N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-2,6-8,11,14-15H,3-5,9-10H2/t14-,15-/m0/s1.
What are the key properties of 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,5S)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 45486128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).