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

C18H27NO — CID 79898292

IUPACN-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1ccc(NC2CCOC3(CCCCC3)C2)c(C)c1
InChIInChI=1S/C18H27NO/c1-14-6-7-17(15(2)12-14)19-16-8-11-20-18(13-16)9-4-3-5-10-18/h6-7,12,16,19H,3-5,8-11,13H2,1-2H3
InChIKeyROZPREHRCKBDSY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.60
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79898292) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79898292
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1ccc(NC2CCOC3(CCCCC3)C2)c(C)c1
InChIInChI=1S/C18H27NO/c1-14-6-7-17(15(2)12-14)19-16-8-11-20-18(13-16)9-4-3-5-10-18/h6-7,12,16,19H,3-5,8-11,13H2,1-2H3
InChIKeyROZPREHRCKBDSY-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(2-bromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898446
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
N-(2,5-dibromophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895723
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79898292) is N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine is Cc1ccc(NC2CCOC3(CCCCC3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is ROZPREHRCKBDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-6-7-17(15(2)12-14)19-16-8-11-20-18(13-16)9-4-3-5-10-18/h6-7,12,16,19H,3-5,8-11,13H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).