4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile

C23H23N3O — CID 11710931

IUPAC4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2C3CCC2CC(NCc2ccco2)C3)c2ccccc12
InChIInChI=1S/C23H23N3O/c24-14-16-7-10-23(22-6-2-1-5-21(16)22)26-18-8-9-19(26)13-17(12-18)25-15-20-4-3-11-27-20/h1-7,10-11,17-19,25H,8-9,12-13,15H2
InChIKeyBEWRHPVISGZDAC-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.59
Rot. Bonds4

About 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile

4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile (PubChem CID 11710931) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
PubChem CID11710931
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2C3CCC2CC(NCc2ccco2)C3)c2ccccc12
InChIInChI=1S/C23H23N3O/c24-14-16-7-10-23(22-6-2-1-5-21(16)22)26-18-8-9-19(26)13-17(12-18)25-15-20-4-3-11-27-20/h1-7,10-11,17-19,25H,8-9,12-13,15H2
InChIKeyBEWRHPVISGZDAC-UHFFFAOYSA-N
XLogP4.59
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile with MolForge

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Related Compounds

4-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
CID 11624590
[(1R,5S)-8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
CID 69225104
[8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] 2-(diethylamino)acetate;hydrochloride
CID 11640509
5-fluoro-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 82017052
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53350337
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632427
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792
N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134958
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 115618478

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile (CID 11710931) is 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile is N#Cc1ccc(N2C3CCC2CC(NCc2ccco2)C3)c2ccccc12.
What is the InChIKey of 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
The InChIKey is BEWRHPVISGZDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c24-14-16-7-10-23(22-6-2-1-5-21(16)22)26-18-8-9-19(26)13-17(12-18)25-15-20-4-3-11-27-20/h1-7,10-11,17-19,25H,8-9,12-13,15H2.
What are the key properties of 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile?
4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 11710931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).