N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C17H25NO2 — CID 79898143

IUPACN-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCc1ccc(NC2CCOC3(CCOCC3)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-13-3-4-16(14(2)11-13)18-15-5-8-20-17(12-15)6-9-19-10-7-17/h3-4,11,15,18H,5-10,12H2,1-2H3
InChIKeyPQUIZYGPEBTLML-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.44
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79898143) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79898143
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCc1ccc(NC2CCOC3(CCOCC3)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-13-3-4-16(14(2)11-13)18-15-5-8-20-17(12-15)6-9-19-10-7-17/h3-4,11,15,18H,5-10,12H2,1-2H3
InChIKeyPQUIZYGPEBTLML-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
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-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(2,6-dibromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79902165
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904002
N-(4-methoxy-2-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903734
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79898143) is N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine is Cc1ccc(NC2CCOC3(CCOCC3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is PQUIZYGPEBTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-3-4-16(14(2)11-13)18-15-5-8-20-17(12-15)6-9-19-10-7-17/h3-4,11,15,18H,5-10,12H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.44, 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)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).