1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol

C16H31NO3 — CID 91468434

IUPAC1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(CC(C)O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H31NO3/c1-4-13(2)11-17(12-14(3)18)15-5-7-16(8-6-15)19-9-10-20-16/h13-15,18H,4-12H2,1-3H3
InChIKeyOASDBJPZBXWBGD-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.40
Rot. Bonds6

About 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol

1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol (PubChem CID 91468434) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol
PubChem CID91468434
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(CC(C)O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H31NO3/c1-4-13(2)11-17(12-14(3)18)15-5-7-16(8-6-15)19-9-10-20-16/h13-15,18H,4-12H2,1-3H3
InChIKeyOASDBJPZBXWBGD-UHFFFAOYSA-N
XLogP2.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol (CID 91468434) is 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol is CCC(C)CN(CC(C)O)C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol?
The InChIKey is OASDBJPZBXWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-4-13(2)11-17(12-14(3)18)15-5-7-16(8-6-15)19-9-10-20-16/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol?
1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 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-yl(2-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 91468434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).