2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]

C16H29NO — CID 138726866

IUPAC2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]
SMILESCC(C)N1CCC2CCCCCCC2C12COC2
InChIInChI=1S/C16H29NO/c1-13(2)17-10-9-14-7-5-3-4-6-8-15(14)16(17)11-18-12-16/h13-15H,3-12H2,1-2H3
InChIKeyJJMUOELUPFUTEA-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.46
Rot. Bonds1

About 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]

2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane] (PubChem CID 138726866) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane].

Molecular Properties

Compound Name2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]
PubChem CID138726866
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]
SMILESCC(C)N1CCC2CCCCCCC2C12COC2
InChIInChI=1S/C16H29NO/c1-13(2)17-10-9-14-7-5-3-4-6-8-15(14)16(17)11-18-12-16/h13-15H,3-12H2,1-2H3
InChIKeyJJMUOELUPFUTEA-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane] with MolForge

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Related Compounds

CID 176557161
CID 176557161
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
CID 155351261
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
CID 167242816
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
2-cyclononylcyclononane-1,1-diol
CID 23113232
CID 174040303
CID 174040303
5-methyl-1-propan-2-yl-3-propylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[b]pyridine-2,3'-oxetane]
CID 167191964
2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine
CID 167914484
(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]?
The IUPAC name of 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane] (CID 138726866) is 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane].
What is the SMILES notation for 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]?
The canonical SMILES for 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane] is CC(C)N1CCC2CCCCCCC2C12COC2.
What is the InChIKey of 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]?
The InChIKey is JJMUOELUPFUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)17-10-9-14-7-5-3-4-6-8-15(14)16(17)11-18-12-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]?
2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane] has a molecular weight of 251.41 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane] is sourced from PubChem (CID 138726866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).