11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane

C16H29NO — CID 65213785

IUPAC11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
SMILESCC1CCCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C16H29NO/c1-14-6-5-10-16(11-7-14)13-17-12-15(18-16)8-3-2-4-9-15/h14,17H,2-13H2,1H3
InChIKeyLSJDNALDGRFZNA-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.65
Rot. Bonds

About 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane

11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane (PubChem CID 65213785) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane.

Molecular Properties

Compound Name11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
PubChem CID65213785
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
SMILESCC1CCCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C16H29NO/c1-14-6-5-10-16(11-7-14)13-17-12-15(18-16)8-3-2-4-9-15/h14,17H,2-13H2,1H3
InChIKeyLSJDNALDGRFZNA-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
The IUPAC name of 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane (CID 65213785) is 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane.
What is the SMILES notation for 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
The canonical SMILES for 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane is CC1CCCC2(CC1)CNCC1(CCCCC1)O2.
What is the InChIKey of 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
The InChIKey is LSJDNALDGRFZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14-6-5-10-16(11-7-14)13-17-12-15(18-16)8-3-2-4-9-15/h14,17H,2-13H2,1H3.
What are the key properties of 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane?
11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane has a molecular weight of 251.41 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane is sourced from PubChem (CID 65213785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).