3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol

C13H25NO3 — CID 115359952

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO3/c1-12(2,9-15)8-14-11-3-5-17-13(7-11)4-6-16-10-13/h11,14-15H,3-10H2,1-2H3
InChIKeyTVSGNTDXZQJWNT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.93
Rot. Bonds4

About 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol

3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol (PubChem CID 115359952) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
PubChem CID115359952
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO3/c1-12(2,9-15)8-14-11-3-5-17-13(7-11)4-6-16-10-13/h11,14-15H,3-10H2,1-2H3
InChIKeyTVSGNTDXZQJWNT-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79895671
N-(2,2,3,3-tetrafluoropropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114169259
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopentyl]methanol
CID 115359651
2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol
CID 114756280
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol (CID 115359952) is 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNC1CCOC2(CCOC2)C1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is TVSGNTDXZQJWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,9-15)8-14-11-3-5-17-13(7-11)4-6-16-10-13/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol?
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).