1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol

C15H29NO3 — CID 66178779

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO3/c1-12(2)10-14(3,17)11-16-13-4-6-15(7-5-13)18-8-9-19-15/h12-13,16-17H,4-11H2,1-3H3
InChIKeyDYUXOYKTZKMWCC-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.06
Rot. Bonds5

About 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol

1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol (PubChem CID 66178779) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
PubChem CID66178779
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO3/c1-12(2)10-14(3,17)11-16-13-4-6-15(7-5-13)18-8-9-19-15/h12-13,16-17H,4-11H2,1-3H3
InChIKeyDYUXOYKTZKMWCC-UHFFFAOYSA-N
XLogP2.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropan-2-ol
CID 63239594
2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
CID 114817743
N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103460691
N-(2-ethyl-2-methylsulfanylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104801490
N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 113454913
1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol
CID 66179546
2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
CID 66181051
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
CID 43567769
1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol (CID 66178779) is 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is DYUXOYKTZKMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(2)10-14(3,17)11-16-13-4-6-15(7-5-13)18-8-9-19-15/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol?
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66178779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).