N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C16H23NO2 — CID 79897837

IUPACN-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1ccc(NC2CCOC3(CCOC3)C2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-3-4-15(13(2)9-12)17-14-5-7-19-16(10-14)6-8-18-11-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3
InChIKeyLPCOPMCVZLRGAX-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.05
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79897837) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79897837
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1ccc(NC2CCOC3(CCOC3)C2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-3-4-15(13(2)9-12)17-14-5-7-19-16(10-14)6-8-18-11-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3
InChIKeyLPCOPMCVZLRGAX-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(2-bromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898446
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
CID 138684089
1-(2,5-dimethylphenyl)-3-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]urea
CID 97255707
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904002

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79897837) is N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Cc1ccc(NC2CCOC3(CCOC3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is LPCOPMCVZLRGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-3-4-15(13(2)9-12)17-14-5-7-19-16(10-14)6-8-18-11-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 261.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).