[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol

C13H25NO2 — CID 167962561

IUPAC[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol
SMILESCC(C)(C)OCCN1CC2CCC1(CO)C2
InChIInChI=1S/C13H25NO2/c1-12(2,3)16-7-6-14-9-11-4-5-13(14,8-11)10-15/h11,15H,4-10H2,1-3H3
InChIKeyWDAJHSZWLLUKRE-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds4

About [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol

[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol (PubChem CID 167962561) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol.

Molecular Properties

Compound Name[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol
PubChem CID167962561
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol
SMILESCC(C)(C)OCCN1CC2CCC1(CO)C2
InChIInChI=1S/C13H25NO2/c1-12(2,3)16-7-6-14-9-11-4-5-13(14,8-11)10-15/h11,15H,4-10H2,1-3H3
InChIKeyWDAJHSZWLLUKRE-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol with MolForge

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Related Compounds

(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 139430120
2-cyclopropyl-5-ethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592075
5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592078
tert-butyl (1S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 130763288
tert-butyl (1S,4R)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 96536707
2-cyclopropyl-5,5-diethyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 115943677
2,2,5,5-tetramethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592059
[2-(cyclopropylmethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
CID 164654921
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine
CID 115943657
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 134335538

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol?
The IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol (CID 167962561) is [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol.
What is the SMILES notation for [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol?
The canonical SMILES for [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol is CC(C)(C)OCCN1CC2CCC1(CO)C2.
What is the InChIKey of [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol?
The InChIKey is WDAJHSZWLLUKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)16-7-6-14-9-11-4-5-13(14,8-11)10-15/h11,15H,4-10H2,1-3H3.
What are the key properties of [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol?
[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-azabicyclo[2.2.1]heptan-1-yl]methanol is sourced from PubChem (CID 167962561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).