1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol

C17H31NO3 — CID 79907952

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C17H31NO3/c1-2-9-18-15-3-6-17(19,7-4-15)14-5-10-21-16(12-14)8-11-20-13-16/h14-15,18-19H,2-13H2,1H3
InChIKeyLMIMZENPQXOBTM-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.25
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol (PubChem CID 79907952) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol
PubChem CID79907952
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C17H31NO3/c1-2-9-18-15-3-6-17(19,7-4-15)14-5-10-21-16(12-14)8-11-20-13-16/h14-15,18-19H,2-13H2,1H3
InChIKeyLMIMZENPQXOBTM-UHFFFAOYSA-N
XLogP2.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
4-(ethylamino)-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79922553
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol
CID 79900930
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201
4-(propylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114624346
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 80561361
1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
CID 129347011

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol (CID 79907952) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(C2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol?
The InChIKey is LMIMZENPQXOBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-9-18-15-3-6-17(19,7-4-15)14-5-10-21-16(12-14)8-11-20-13-16/h14-15,18-19H,2-13H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 79907952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).