(6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

C11H22N2O2 — CID 163335591

IUPAC(6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CCC12CC(N)C2
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8-9,14H,4-7,12H2,1-3H3
InChIKeyPFRLBDOZOHBJIC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.64
Rot. Bonds2

About (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

(6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 163335591) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name(6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID163335591
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CCC12CC(N)C2
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8-9,14H,4-7,12H2,1-3H3
InChIKeyPFRLBDOZOHBJIC-UHFFFAOYSA-N
XLogP0.64
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (CID 163335591) is (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N1CCC12CC(N)C2.
What is the InChIKey of (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is PFRLBDOZOHBJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8-9,14H,4-7,12H2,1-3H3.
What are the key properties of (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
(6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 214.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-azaspiro[3.3]heptan-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 163335591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).