N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine

C16H23NO — CID 79897570

IUPACN-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cccc(NC2CCOC3(CCC3)C2)c1C
InChIInChI=1S/C16H23NO/c1-12-5-3-6-15(13(12)2)17-14-7-10-18-16(11-14)8-4-9-16/h3,5-6,14,17H,4,7-11H2,1-2H3
InChIKeyOMFBYALHVXNQCR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.82
Rot. Bonds2

About N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897570) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897570
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cccc(NC2CCOC3(CCC3)C2)c1C
InChIInChI=1S/C16H23NO/c1-12-5-3-6-15(13(12)2)17-14-7-10-18-16(11-14)8-4-9-16/h3,5-6,14,17H,4,7-11H2,1-2H3
InChIKeyOMFBYALHVXNQCR-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79901632
(5S)-5-methyl-3-[2-methyl-3-[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]phenyl]imidazolidine-2,4-dione
CID 129488185
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
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-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377787
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
CID 79901355
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79897570) is N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine is Cc1cccc(NC2CCOC3(CCC3)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is OMFBYALHVXNQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-3-6-15(13(12)2)17-14-7-10-18-16(11-14)8-4-9-16/h3,5-6,14,17H,4,7-11H2,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 245.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).