2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol

C10H19NO — CID 153410116

IUPAC2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol
SMILESCC(C)(O)C1CC2(CCC2)C1N
InChIInChI=1S/C10H19NO/c1-9(2,12)7-6-10(8(7)11)4-3-5-10/h7-8,12H,3-6,11H2,1-2H3
InChIKeyGZOQSMCRWANJNE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds1

About 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol

2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol (PubChem CID 153410116) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol
PubChem CID153410116
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol
SMILESCC(C)(O)C1CC2(CCC2)C1N
InChIInChI=1S/C10H19NO/c1-9(2,12)7-6-10(8(7)11)4-3-5-10/h7-8,12H,3-6,11H2,1-2H3
InChIKeyGZOQSMCRWANJNE-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol?
The IUPAC name of 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol (CID 153410116) is 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol?
The canonical SMILES for 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol is CC(C)(O)C1CC2(CCC2)C1N.
What is the InChIKey of 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol?
The InChIKey is GZOQSMCRWANJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,12)7-6-10(8(7)11)4-3-5-10/h7-8,12H,3-6,11H2,1-2H3.
What are the key properties of 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol?
2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminospiro[3.3]heptan-2-yl)propan-2-ol is sourced from PubChem (CID 153410116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).