2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol

C16H30N2O2 — CID 86285248

IUPAC2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol
SMILESC/C=C/CN1CCC2(CCN(CCO)CC2)C(CO)C1
InChIInChI=1S/C16H30N2O2/c1-2-3-7-18-10-6-16(15(13-18)14-20)4-8-17(9-5-16)11-12-19/h2-3,15,19-20H,4-14H2,1H3/b3-2+
InChIKeyQKXMWQIJVIDGBJ-NSCUHMNNSA-N
MW282.43 g/mol
LogP0.95
Rot. Bonds5

About 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol

2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol (PubChem CID 86285248) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol
PubChem CID86285248
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol
SMILESC/C=C/CN1CCC2(CCN(CCO)CC2)C(CO)C1
InChIInChI=1S/C16H30N2O2/c1-2-3-7-18-10-6-16(15(13-18)14-20)4-8-17(9-5-16)11-12-19/h2-3,15,19-20H,4-14H2,1H3/b3-2+
InChIKeyQKXMWQIJVIDGBJ-NSCUHMNNSA-N
XLogP0.95
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(8-methyl-6-azaspiro[2.5]octan-6-yl)ethanol
CID 83959936
1-[(Z)-but-2-enyl]aziridine
CID 5362970
1-[(E)-but-2-enyl]aziridine
CID 5362969
7-[(E)-but-2-enyl]-7-azaspiro[3.5]nonane
CID 131237372
(4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol
CID 131038216
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
methyl 1-but-2-enylpyrrolidine-3-carboxylate
CID 112730748
1-but-2-enylazetidine
CID 544280
[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine
CID 62064120
2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanol
CID 71647927
(1,4,4-trimethylpiperidin-3-yl)methanol
CID 117025806
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
The IUPAC name of 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol (CID 86285248) is 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol.
What is the SMILES notation for 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
The canonical SMILES for 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol is C/C=C/CN1CCC2(CCN(CCO)CC2)C(CO)C1.
What is the InChIKey of 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
The InChIKey is QKXMWQIJVIDGBJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-3-7-18-10-6-16(15(13-18)14-20)4-8-17(9-5-16)11-12-19/h2-3,15,19-20H,4-14H2,1H3/b3-2+.
What are the key properties of 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol?
2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol has a molecular weight of 282.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-but-2-enyl]-5-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanol is sourced from PubChem (CID 86285248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).