N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine

C19H23NO — CID 79901355

IUPACN-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
SMILESc1ccc2c(NC3CCOC4(CCCC4)C3)cccc2c1
InChIInChI=1S/C19H23NO/c1-2-8-17-15(6-1)7-5-9-18(17)20-16-10-13-21-19(14-16)11-3-4-12-19/h1-2,5-9,16,20H,3-4,10-14H2
InChIKeyQXHIEWAGGGPXFX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.74
Rot. Bonds2

About N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine

N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79901355) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
PubChem CID79901355
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
SMILESc1ccc2c(NC3CCOC4(CCCC4)C3)cccc2c1
InChIInChI=1S/C19H23NO/c1-2-8-17-15(6-1)7-5-9-18(17)20-16-10-13-21-19(14-16)11-3-4-12-19/h1-2,5-9,16,20H,3-4,10-14H2
InChIKeyQXHIEWAGGGPXFX-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79901632
8-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377787
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897852
8-fluoro-2-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377639
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(2,5-dibromophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895723

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine (CID 79901355) is N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine is c1ccc2c(NC3CCOC4(CCCC4)C3)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is QXHIEWAGGGPXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-8-17-15(6-1)7-5-9-18(17)20-16-10-13-21-19(14-16)11-3-4-12-19/h1-2,5-9,16,20H,3-4,10-14H2.
What are the key properties of N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine?
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 281.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79901355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).