11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane

C19H35NO — CID 65213640

IUPAC11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane
SMILESCCC(C)(C)C1CCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C19H35NO/c1-4-17(2,3)16-8-12-19(13-9-16)15-20-14-18(21-19)10-6-5-7-11-18/h16,20H,4-15H2,1-3H3
InChIKeyCDWVNBGPPGPFER-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.67
Rot. Bonds2

About 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane

11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane (PubChem CID 65213640) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane.

Molecular Properties

Compound Name11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane
PubChem CID65213640
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane
SMILESCCC(C)(C)C1CCC2(CC1)CNCC1(CCCCC1)O2
InChIInChI=1S/C19H35NO/c1-4-17(2,3)16-8-12-19(13-9-16)15-20-14-18(21-19)10-6-5-7-11-18/h16,20H,4-15H2,1-3H3
InChIKeyCDWVNBGPPGPFER-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane?
The IUPAC name of 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane (CID 65213640) is 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane.
What is the SMILES notation for 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane?
The canonical SMILES for 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane is CCC(C)(C)C1CCC2(CC1)CNCC1(CCCCC1)O2.
What is the InChIKey of 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane?
The InChIKey is CDWVNBGPPGPFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-17(2,3)16-8-12-19(13-9-16)15-20-14-18(21-19)10-6-5-7-11-18/h16,20H,4-15H2,1-3H3.
What are the key properties of 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane?
11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane has a molecular weight of 293.49 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane is sourced from PubChem (CID 65213640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).