1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol

C20H33NO3 — CID 19390062

IUPAC1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol
SMILESNCC(O)COC1CCC2(CCC(CCc3ccoc3)CC2)CC1
InChIInChI=1S/C20H33NO3/c21-13-18(22)15-24-19-5-10-20(11-6-19)8-3-16(4-9-20)1-2-17-7-12-23-14-17/h7,12,14,16,18-19,22H,1-6,8-11,13,15,21H2
InChIKeyVPTFMWUQIXYSRS-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.67
Rot. Bonds7

About 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol

1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol (PubChem CID 19390062) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol
PubChem CID19390062
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol
SMILESNCC(O)COC1CCC2(CCC(CCc3ccoc3)CC2)CC1
InChIInChI=1S/C20H33NO3/c21-13-18(22)15-24-19-5-10-20(11-6-19)8-3-16(4-9-20)1-2-17-7-12-23-14-17/h7,12,14,16,18-19,22H,1-6,8-11,13,15,21H2
InChIKeyVPTFMWUQIXYSRS-UHFFFAOYSA-N
XLogP3.67
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol?
The IUPAC name of 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol (CID 19390062) is 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol.
What is the SMILES notation for 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol?
The canonical SMILES for 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol is NCC(O)COC1CCC2(CCC(CCc3ccoc3)CC2)CC1.
What is the InChIKey of 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol?
The InChIKey is VPTFMWUQIXYSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c21-13-18(22)15-24-19-5-10-20(11-6-19)8-3-16(4-9-20)1-2-17-7-12-23-14-17/h7,12,14,16,18-19,22H,1-6,8-11,13,15,21H2.
What are the key properties of 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol?
1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol has a molecular weight of 335.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxypropan-2-ol is sourced from PubChem (CID 19390062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).