3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

C17H33NO — CID 139300900

IUPAC3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCCCCCC1C(C)COC12CCN(C(C)C)CC2
InChIInChI=1S/C17H33NO/c1-5-6-7-8-16-15(4)13-19-17(16)9-11-18(12-10-17)14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyXZVORMDCVRBUNI-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.09
Rot. Bonds5

About 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 139300900) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID139300900
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCCCCCC1C(C)COC12CCN(C(C)C)CC2
InChIInChI=1S/C17H33NO/c1-5-6-7-8-16-15(4)13-19-17(16)9-11-18(12-10-17)14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyXZVORMDCVRBUNI-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 139300900) is 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is CCCCCC1C(C)COC12CCN(C(C)C)CC2.
What is the InChIKey of 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XZVORMDCVRBUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-6-7-8-16-15(4)13-19-17(16)9-11-18(12-10-17)14(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 267.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 139300900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).