N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine

C15H21NO — CID 79897456

IUPACN-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cccc(NC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H21NO/c1-12-4-2-5-13(10-12)16-14-6-9-17-15(11-14)7-3-8-15/h2,4-5,10,14,16H,3,6-9,11H2,1H3
InChIKeyMDLXVFLODIFBHI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.51
Rot. Bonds2

About N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897456) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897456
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1cccc(NC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C15H21NO/c1-12-4-2-5-13(10-12)16-14-6-9-17-15(11-14)7-3-8-15/h2,4-5,10,14,16H,3,6-9,11H2,1H3
InChIKeyMDLXVFLODIFBHI-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897685
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895159
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
CID 79895553
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
(3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124546831

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79897456) is N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine is Cc1cccc(NC2CCOC3(CCC3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is MDLXVFLODIFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-4-2-5-13(10-12)16-14-6-9-17-15(11-14)7-3-8-15/h2,4-5,10,14,16H,3,6-9,11H2,1H3.
What are the key properties of N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 231.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).