(6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol

C10H19NO3 — CID 163925615

IUPAC(6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol
SMILESCC1(N)CCC2OCC(CO)OC2C1
InChIInChI=1S/C10H19NO3/c1-10(11)3-2-8-9(4-10)14-7(5-12)6-13-8/h7-9,12H,2-6,11H2,1H3
InChIKeyREFCYMRDTGGMRK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.03
Rot. Bonds1

About (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol

(6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol (PubChem CID 163925615) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol.

Molecular Properties

Compound Name(6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol
PubChem CID163925615
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol
SMILESCC1(N)CCC2OCC(CO)OC2C1
InChIInChI=1S/C10H19NO3/c1-10(11)3-2-8-9(4-10)14-7(5-12)6-13-8/h7-9,12H,2-6,11H2,1H3
InChIKeyREFCYMRDTGGMRK-UHFFFAOYSA-N
XLogP0.03
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(oxiran-2-yl)oxolan-2-yl]methanol
CID 123518659
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
oxiran-2-ylmethanol;propane
CID 91466926
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726
[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 57325873
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
molecular iodine;oxiran-2-ylmethanol
CID 159687317
[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 132528973
[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol
CID 145336693
[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
CID 165442527
[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane
CID 145109293
[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol
CID 76963279

Frequently Asked Questions

What is the IUPAC name of (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol?
The IUPAC name of (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol (CID 163925615) is (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol.
What is the SMILES notation for (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol?
The canonical SMILES for (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol is CC1(N)CCC2OCC(CO)OC2C1.
What is the InChIKey of (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol?
The InChIKey is REFCYMRDTGGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(11)3-2-8-9(4-10)14-7(5-12)6-13-8/h7-9,12H,2-6,11H2,1H3.
What are the key properties of (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol?
(6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol has a molecular weight of 201.27 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]dioxin-3-yl)methanol is sourced from PubChem (CID 163925615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).