(6-imino-8-methylspiro[3.5]nonan-9-yl)methanol

C11H19NO — CID 91050936

IUPAC(6-imino-8-methylspiro[3.5]nonan-9-yl)methanol
SMILES[H]/N=C1\CC(C)C(CO)C2(CCC2)C1
InChIInChI=1S/C11H19NO/c1-8-5-9(12)6-11(3-2-4-11)10(8)7-13/h8,10,12-13H,2-7H2,1H3/b12-9+
InChIKeyPPBNCKFWDBDXAH-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds1

About (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol

(6-imino-8-methylspiro[3.5]nonan-9-yl)methanol (PubChem CID 91050936) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol.

Molecular Properties

Compound Name(6-imino-8-methylspiro[3.5]nonan-9-yl)methanol
PubChem CID91050936
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(6-imino-8-methylspiro[3.5]nonan-9-yl)methanol
SMILES[H]/N=C1\CC(C)C(CO)C2(CCC2)C1
InChIInChI=1S/C11H19NO/c1-8-5-9(12)6-11(3-2-4-11)10(8)7-13/h8,10,12-13H,2-7H2,1H3/b12-9+
InChIKeyPPBNCKFWDBDXAH-FMIVXFBMSA-N
XLogP2.21
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol?
The IUPAC name of (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol (CID 91050936) is (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol.
What is the SMILES notation for (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol?
The canonical SMILES for (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol is [H]/N=C1\CC(C)C(CO)C2(CCC2)C1.
What is the InChIKey of (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol?
The InChIKey is PPBNCKFWDBDXAH-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-5-9(12)6-11(3-2-4-11)10(8)7-13/h8,10,12-13H,2-7H2,1H3/b12-9+.
What are the key properties of (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol?
(6-imino-8-methylspiro[3.5]nonan-9-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imino-8-methylspiro[3.5]nonan-9-yl)methanol is sourced from PubChem (CID 91050936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).