N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine

C17H25NO — CID 79898330

IUPACN-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1ccc(NC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H25NO/c1-14-5-7-15(8-6-14)18-16-9-12-19-17(13-16)10-3-2-4-11-17/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyRCLRMGFLGUMBBC-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.29
Rot. Bonds2

About N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine

N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79898330) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79898330
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1ccc(NC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H25NO/c1-14-5-7-15(8-6-14)18-16-9-12-19-17(13-16)10-3-2-4-11-17/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyRCLRMGFLGUMBBC-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
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-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(4-methylsulfonylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898235
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
CID 79903550
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400
N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79898330) is N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine is Cc1ccc(NC2CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is RCLRMGFLGUMBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-5-7-15(8-6-14)18-16-9-12-19-17(13-16)10-3-2-4-11-17/h5-8,16,18H,2-4,9-13H2,1H3.
What are the key properties of N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 259.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).