5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]

C20H37NO — CID 167191020

IUPAC5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]
SMILESCC1CCCCCC2C(CCC1)CCN(C(C)C)C21COC1
InChIInChI=1S/C20H37NO/c1-16(2)21-13-12-18-10-7-9-17(3)8-5-4-6-11-19(18)20(21)14-22-15-20/h16-19H,4-15H2,1-3H3
InChIKeyZVWFZVHKBQRSGK-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.87
Rot. Bonds1

About 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]

5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane] (PubChem CID 167191020) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane].

Molecular Properties

Compound Name5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]
PubChem CID167191020
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]
SMILESCC1CCCCCC2C(CCC1)CCN(C(C)C)C21COC1
InChIInChI=1S/C20H37NO/c1-16(2)21-13-12-18-10-7-9-17(3)8-5-4-6-11-19(18)20(21)14-22-15-20/h16-19H,4-15H2,1-3H3
InChIKeyZVWFZVHKBQRSGK-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]?
The IUPAC name of 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane] (CID 167191020) is 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane].
What is the SMILES notation for 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]?
The canonical SMILES for 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane] is CC1CCCCCC2C(CCC1)CCN(C(C)C)C21COC1.
What is the InChIKey of 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]?
The InChIKey is ZVWFZVHKBQRSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-16(2)21-13-12-18-10-7-9-17(3)8-5-4-6-11-19(18)20(21)14-22-15-20/h16-19H,4-15H2,1-3H3.
What are the key properties of 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]?
5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane] has a molecular weight of 307.52 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane] is sourced from PubChem (CID 167191020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).