N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine

C18H25NO — CID 79901632

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1cc2c(c(NC3CCOC4(CCC4)C3)c1)CCCC2
InChIInChI=1S/C18H25NO/c1-2-7-16-14(5-1)6-3-8-17(16)19-15-9-12-20-18(13-15)10-4-11-18/h3,6,8,15,19H,1-2,4-5,7,9-13H2
InChIKeyNUNXTHVUEQUVCC-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.08
Rot. Bonds2

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79901632) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79901632
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESc1cc2c(c(NC3CCOC4(CCC4)C3)c1)CCCC2
InChIInChI=1S/C18H25NO/c1-2-7-16-14(5-1)6-3-8-17(16)19-15-9-12-20-18(13-15)10-4-11-18/h3,6,8,15,19H,1-2,4-5,7,9-13H2
InChIKeyNUNXTHVUEQUVCC-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
CID 79901355
N-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 91150156
N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897852
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione
CID 129488185
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine (CID 79901632) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine is c1cc2c(c(NC3CCOC4(CCC4)C3)c1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is NUNXTHVUEQUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-7-16-14(5-1)6-3-8-17(16)19-15-9-12-20-18(13-15)10-4-11-18/h3,6,8,15,19H,1-2,4-5,7,9-13H2.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 271.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79901632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).