2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol

C15H25NO2 — CID 162884858

IUPAC2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol
SMILESCC1(C)OC2(C)CCC1C1(N)C(CCO)C=CC21
InChIInChI=1S/C15H25NO2/c1-13(2)11-6-8-14(3,18-13)12-5-4-10(7-9-17)15(11,12)16/h4-5,10-12,17H,6-9,16H2,1-3H3
InChIKeyJGMNKFDMWLFDGY-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.85
Rot. Bonds2

About 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol

2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol (PubChem CID 162884858) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol
PubChem CID162884858
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol
SMILESCC1(C)OC2(C)CCC1C1(N)C(CCO)C=CC21
InChIInChI=1S/C15H25NO2/c1-13(2)11-6-8-14(3,18-13)12-5-4-10(7-9-17)15(11,12)16/h4-5,10-12,17H,6-9,16H2,1-3H3
InChIKeyJGMNKFDMWLFDGY-UHFFFAOYSA-N
XLogP1.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol with MolForge

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Related Compounds

(1R,5S)-1,4,4-trimethyl-3,8-dioxabicyclo[3.2.1]octan-2-ol
CID 130809034
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
3-[(1S,3S,4R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]propan-1-ol
CID 130920618
1-methyl-5-propylbicyclo[2.1.0]pentan-5-amine
CID 162011591
trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol
CID 131855256
[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 114342765
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid
CID 114624336
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904
18-amino-18-(2-hydroxyethyl)-20,20-dimethyl-21-oxapentacyclo[17.2.2.12,6.01,17.08,13]tetracosa-8(13),9,11-trien-15-yn-11-ol
CID 162831532
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114621893
2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol
CID 162871161
(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol
CID 102228759

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol?
The IUPAC name of 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol (CID 162884858) is 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol.
What is the SMILES notation for 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol?
The canonical SMILES for 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol is CC1(C)OC2(C)CCC1C1(N)C(CCO)C=CC21.
What is the InChIKey of 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol?
The InChIKey is JGMNKFDMWLFDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)11-6-8-14(3,18-13)12-5-4-10(7-9-17)15(11,12)16/h4-5,10-12,17H,6-9,16H2,1-3H3.
What are the key properties of 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol?
2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-7,9,9-trimethyl-8-oxatricyclo[5.2.2.02,6]undec-4-en-3-yl)ethanol is sourced from PubChem (CID 162884858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).