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

C17H25NO3 — CID 79899907

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H25NO3/c19-12-16(10-14-4-2-1-3-5-14)18-15-6-8-21-17(11-15)7-9-20-13-17/h1-5,15-16,18-19H,6-13H2
InChIKeyHVNQEXYYTOYGTA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.52
Rot. Bonds5

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

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol (PubChem CID 79899907) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol
PubChem CID79899907
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H25NO3/c19-12-16(10-14-4-2-1-3-5-14)18-15-6-8-21-17(11-15)7-9-20-13-17/h1-5,15-16,18-19H,6-13H2
InChIKeyHVNQEXYYTOYGTA-UHFFFAOYSA-N
XLogP1.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol
CID 107862364
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
CID 124887284
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
N-(1,3-diphenylpropan-2-yl)oxolan-3-amine
CID 80719225
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopentyl]methanol
CID 115359651
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
CID 102613735

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol (CID 79899907) is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol is OCC(Cc1ccccc1)NC1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol?
The InChIKey is HVNQEXYYTOYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-12-16(10-14-4-2-1-3-5-14)18-15-6-8-21-17(11-15)7-9-20-13-17/h1-5,15-16,18-19H,6-13H2.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol?
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 79899907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).