6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole

C18H24N2O — CID 142555335

IUPAC6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole
SMILESCC1(C)C=Cc2nc(C3(C)CC4(CCC4)CN3)oc2C=C1
InChIInChI=1S/C18H24N2O/c1-16(2)9-5-13-14(6-10-16)21-15(20-13)17(3)11-18(12-19-17)7-4-8-18/h5-6,9-10,19H,4,7-8,11-12H2,1-3H3
InChIKeyPNBGAJAQUDZKQU-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.12
Rot. Bonds1

About 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole

6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole (PubChem CID 142555335) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole
PubChem CID142555335
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole
SMILESCC1(C)C=Cc2nc(C3(C)CC4(CCC4)CN3)oc2C=C1
InChIInChI=1S/C18H24N2O/c1-16(2)9-5-13-14(6-10-16)21-15(20-13)17(3)11-18(12-19-17)7-4-8-18/h5-6,9-10,19H,4,7-8,11-12H2,1-3H3
InChIKeyPNBGAJAQUDZKQU-UHFFFAOYSA-N
XLogP4.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole?
The IUPAC name of 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole (CID 142555335) is 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole?
The canonical SMILES for 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole is CC1(C)C=Cc2nc(C3(C)CC4(CCC4)CN3)oc2C=C1.
What is the InChIKey of 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole?
The InChIKey is PNBGAJAQUDZKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-16(2)9-5-13-14(6-10-16)21-15(20-13)17(3)11-18(12-19-17)7-4-8-18/h5-6,9-10,19H,4,7-8,11-12H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole?
6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole has a molecular weight of 284.40 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 142555335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).