2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol

C14H27NO3 — CID 79921502

IUPAC2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,15(3)4)12(16)11-5-7-18-14(9-11)6-8-17-10-14/h11-12,16H,5-10H2,1-4H3
InChIKeyKIXUZKCVVHETJA-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.27
Rot. Bonds3

About 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol

2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol (PubChem CID 79921502) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
PubChem CID79921502
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,15(3)4)12(16)11-5-7-18-14(9-11)6-8-17-10-14/h11-12,16H,5-10H2,1-4H3
InChIKeyKIXUZKCVVHETJA-UHFFFAOYSA-N
XLogP1.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79910779
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506
(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192711
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
CID 115820972

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol (CID 79921502) is 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol is CN(C)C(C)(C)C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol?
The InChIKey is KIXUZKCVVHETJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,15(3)4)12(16)11-5-7-18-14(9-11)6-8-17-10-14/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol?
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 79921502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).