N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

C16H21NO4 — CID 79902131

IUPACN-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(cc1NC1CCOC3(CCOC3)C1)OCCO2
InChIInChI=1S/C16H21NO4/c1-2-14-15(20-8-7-19-14)9-12(1)17-13-3-5-21-16(10-13)4-6-18-11-16/h1-2,9,13,17H,3-8,10-11H2
InChIKeyPLWWXNJMQFXQTE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.21
Rot. Bonds2

About N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 79902131) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID79902131
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1cc2c(cc1NC1CCOC3(CCOC3)C1)OCCO2
InChIInChI=1S/C16H21NO4/c1-2-14-15(20-8-7-19-14)9-12(1)17-13-3-5-21-16(10-13)4-6-18-11-16/h1-2,9,13,17H,3-8,10-11H2
InChIKeyPLWWXNJMQFXQTE-UHFFFAOYSA-N
XLogP2.21
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79897939
N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79901878
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-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459
N-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43608361
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-(oxolan-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 63332139
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 79902131) is N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is c1cc2c(cc1NC1CCOC3(CCOC3)C1)OCCO2.
What is the InChIKey of N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is PLWWXNJMQFXQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-14-15(20-8-7-19-14)9-12(1)17-13-3-5-21-16(10-13)4-6-18-11-16/h1-2,9,13,17H,3-8,10-11H2.
What are the key properties of N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 291.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 79902131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).