N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine

C17H25NO — CID 79897852

IUPACN-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)c1ccccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO/c1-13(2)15-6-3-4-7-16(15)18-14-8-11-19-17(12-14)9-5-10-17/h3-4,6-7,13-14,18H,5,8-12H2,1-2H3
InChIKeyMDEDDXATOYNILI-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.32
Rot. Bonds3

About N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897852) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897852
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)c1ccccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO/c1-13(2)15-6-3-4-7-16(15)18-14-8-11-19-17(12-14)9-5-10-17/h3-4,6-7,13-14,18H,5,8-12H2,1-2H3
InChIKeyMDEDDXATOYNILI-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.32
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
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
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-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79901632
N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-(2-propan-2-ylphenyl)piperidin-4-amine
CID 61016047
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
(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-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79897852) is N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine is CC(C)c1ccccc1NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is MDEDDXATOYNILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)15-6-3-4-7-16(15)18-14-8-11-19-17(12-14)9-5-10-17/h3-4,6-7,13-14,18H,5,8-12H2,1-2H3.
What are the key properties of N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 259.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).