1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol

C11H20N2O2 — CID 137391361

IUPAC1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol
SMILES[H]/N=C(\N1CC2(CCOCC2)C1)C(C)(C)O
InChIInChI=1S/C11H20N2O2/c1-10(2,14)9(12)13-7-11(8-13)3-5-15-6-4-11/h12,14H,3-8H2,1-2H3/b12-9-
InChIKeyCDNPUGNHHZHCFL-XFXZXTDPSA-N
MW212.29 g/mol
LogP0.85
Rot. Bonds1

About 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol

1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol (PubChem CID 137391361) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol
PubChem CID137391361
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol
SMILES[H]/N=C(\N1CC2(CCOCC2)C1)C(C)(C)O
InChIInChI=1S/C11H20N2O2/c1-10(2,14)9(12)13-7-11(8-13)3-5-15-6-4-11/h12,14H,3-8H2,1-2H3/b12-9-
InChIKeyCDNPUGNHHZHCFL-XFXZXTDPSA-N
XLogP0.85
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol?
The IUPAC name of 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol (CID 137391361) is 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol.
What is the SMILES notation for 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol?
The canonical SMILES for 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol is [H]/N=C(\N1CC2(CCOCC2)C1)C(C)(C)O.
What is the InChIKey of 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol?
The InChIKey is CDNPUGNHHZHCFL-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,14)9(12)13-7-11(8-13)3-5-15-6-4-11/h12,14H,3-8H2,1-2H3/b12-9-.
What are the key properties of 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol?
1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-2-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-2-ol is sourced from PubChem (CID 137391361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).