7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane

C16H29NO — CID 140709131

IUPAC7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)C1CCC(N2CCC3(CC2)COC3)CC1
InChIInChI=1S/C16H29NO/c1-13(2)14-3-5-15(6-4-14)17-9-7-16(8-10-17)11-18-12-16/h13-15H,3-12H2,1-2H3
InChIKeyRWHFYQRDKWFMPX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.31
Rot. Bonds2

About 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane

7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 140709131) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane
PubChem CID140709131
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)C1CCC(N2CCC3(CC2)COC3)CC1
InChIInChI=1S/C16H29NO/c1-13(2)14-3-5-15(6-4-14)17-9-7-16(8-10-17)11-18-12-16/h13-15H,3-12H2,1-2H3
InChIKeyRWHFYQRDKWFMPX-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-Methylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane
CID 117982757
2,5-Ditert-butyl-1-(oxetan-3-yl)piperidine
CID 122428079
4-(4-Tert-butyl-4-propan-2-ylcyclohexyl)morpholine
CID 122679820
7-Tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane
CID 126626538
4-[4,4-Di(propan-2-yl)cyclohexyl]morpholine
CID 130233642
7-Pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
CID 134243220
7-Tetradecan-7-yl-2-oxa-7-azaspiro[3.5]nonane
CID 139315254
7-Hexadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
CID 139315491
1-(Oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709133
2-(4-Propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane
CID 140709159
2-(2-Methylbutan-2-yl)-1-(oxan-4-ylmethyl)piperidine
CID 144043403
2-(4-Methylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane
CID 156204025

Frequently Asked Questions

What is the IUPAC name of 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane (CID 140709131) is 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane is CC(C)C1CCC(N2CCC3(CC2)COC3)CC1.
What is the InChIKey of 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is RWHFYQRDKWFMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)14-3-5-15(6-4-14)17-9-7-16(8-10-17)11-18-12-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane?
7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 251.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 140709131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).