N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C16H23NO4 — CID 79901878

IUPACN-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCOc1cc(NC2CCOC3(CCOC3)C2)cc(OC)c1
InChIInChI=1S/C16H23NO4/c1-18-14-7-13(8-15(9-14)19-2)17-12-3-5-21-16(10-12)4-6-20-11-16/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyQHBGPFNTXGBYEX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.45
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79901878) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79901878
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCOc1cc(NC2CCOC3(CCOC3)C2)cc(OC)c1
InChIInChI=1S/C16H23NO4/c1-18-14-7-13(8-15(9-14)19-2)17-12-3-5-21-16(10-12)4-6-20-11-16/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyQHBGPFNTXGBYEX-UHFFFAOYSA-N
XLogP2.45
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
CID 138684089
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894794
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79902131
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 97255319
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79897939
N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79901878) is N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is COc1cc(NC2CCOC3(CCOC3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is QHBGPFNTXGBYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-18-14-7-13(8-15(9-14)19-2)17-12-3-5-21-16(10-12)4-6-20-11-16/h7-9,12,17H,3-6,10-11H2,1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 293.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79901878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).