(5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol

C14H23NO3 — CID 99966245

IUPAC(5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol
SMILESNC1(CO)COC2(OC1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23NO3/c15-13(6-16)7-17-14(18-8-13)11-2-9-1-10(4-11)5-12(14)3-9/h9-12,16H,1-8,15H2
InChIKeyURXINFWOGSYTFM-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.88
Rot. Bonds1

About (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol

(5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol (PubChem CID 99966245) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol.

Molecular Properties

Compound Name(5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol
PubChem CID99966245
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol
SMILESNC1(CO)COC2(OC1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H23NO3/c15-13(6-16)7-17-14(18-8-13)11-2-9-1-10(4-11)5-12(14)3-9/h9-12,16H,1-8,15H2
InChIKeyURXINFWOGSYTFM-UHFFFAOYSA-N
XLogP0.88
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5,5-dimethyloxolan-3-yl)methanol
CID 130943268
2-(2-amino-2-adamantyl)acetic acid
CID 71709485
(3-amino-5,5-dimethyloxolan-3-yl)methanol;hydrochloride
CID 170910308
adamantane;hydrogen peroxide
CID 159706724
CID 71601509
CID 71601509
6-methyl-6-[(Z)-2-phenylethenyl]spiro[1,2,4-trioxane-3,2'-adamantane]
CID 46210944
3-amino-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6-boranuidaspiro[5.5]undecan-9-ol
CID 168719776
ethane;[5-[(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,2'-adamantane]-4-yl]methyl 5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carboxylate
CID 163599314
(4-amino-10-oxatricyclo[5.2.1.02,6]decan-4-yl)methanol
CID 117274933
[2-(ethenoxymethyl)-2-adamantyl]methanol
CID 71815626
[2-(2,2,2-trifluoroethylamino)-2-adamantyl]methanol
CID 64756878
magnesium;2-ethyladamantan-2-olate;chloride
CID 141311408

Frequently Asked Questions

What is the IUPAC name of (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol?
The IUPAC name of (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol (CID 99966245) is (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol.
What is the SMILES notation for (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol?
The canonical SMILES for (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol is NC1(CO)COC2(OC1)C1CC3CC(C1)CC2C3.
What is the InChIKey of (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol?
The InChIKey is URXINFWOGSYTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c15-13(6-16)7-17-14(18-8-13)11-2-9-1-10(4-11)5-12(14)3-9/h9-12,16H,1-8,15H2.
What are the key properties of (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol?
(5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol has a molecular weight of 253.34 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminospiro[1,3-dioxane-2,2'-adamantane]-5-yl)methanol is sourced from PubChem (CID 99966245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).