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

C16H29NO — CID 140709159

IUPAC2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)C1CCC(N2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)14-3-5-15(6-4-14)17-11-16(12-17)7-9-18-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyGZUZSKCWGHYPTN-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.31
Rot. Bonds2

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

2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 140709159) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane
PubChem CID140709159
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)C1CCC(N2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)14-3-5-15(6-4-14)17-11-16(12-17)7-9-18-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyGZUZSKCWGHYPTN-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

N-methyl-N-(4-propan-2-ylcyclohexyl)oxan-4-amine
CID 89671367
7-(4-Methylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane
CID 117982757
N,N-dimethyl-4-[5-methyl-5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
CID 129034445
N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine
CID 130207486
6-(4-Propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane
CID 140709119
7-(4-Propan-2-ylcyclohexyl)-2-oxa-7-azaspiro[3.5]nonane
CID 140709131
2-(2-Methylbutan-2-yl)-1-(oxan-4-ylmethyl)piperidine
CID 144043403
4-tert-butyloxane;ethane;N,N,4-trimethylcyclohexan-1-amine
CID 144735000
2-(4-Methylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane
CID 156204025
7-Methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane
CID 156812982
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;4-propan-2-yloxane
CID 158111671
4-tert-butyl-N,N-dimethylcyclohexan-1-amine;4-propan-2-yloxane
CID 161496329

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane (CID 140709159) is 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane is CC(C)C1CCC(N2CC3(CCOCC3)C2)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is GZUZSKCWGHYPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)14-3-5-15(6-4-14)17-11-16(12-17)7-9-18-10-8-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane?
2-(4-propan-2-ylcyclohexyl)-7-oxa-2-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 2-(4-propan-2-ylcyclohexyl)-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 140709159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).