3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol

C14H25NO3 — CID 80561361

IUPAC3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C14H25NO3/c15-12-2-1-4-14(16,9-12)11-3-6-18-13(8-11)5-7-17-10-13/h11-12,16H,1-10,15H2
InChIKeyFAPZJVXUNAVIAZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.20
Rot. Bonds1

About 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol

3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol (PubChem CID 80561361) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
PubChem CID80561361
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C14H25NO3/c15-12-2-1-4-14(16,9-12)11-3-6-18-13(8-11)5-7-17-10-13/h11-12,16H,1-10,15H2
InChIKeyFAPZJVXUNAVIAZ-UHFFFAOYSA-N
XLogP1.20
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-3-ol
CID 79902057
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913050
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol
CID 79907952
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol (CID 80561361) is 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol is NC1CCCC(O)(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The InChIKey is FAPZJVXUNAVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c15-12-2-1-4-14(16,9-12)11-3-6-18-13(8-11)5-7-17-10-13/h11-12,16H,1-10,15H2.
What are the key properties of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 80561361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).