4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane

C16H29NO2 — CID 91660413

IUPAC4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCC1CCCCC1CN1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO2/c1-14-4-2-3-5-15(14)12-17-8-11-19-16(13-17)6-9-18-10-7-16/h14-15H,2-13H2,1H3
InChIKeyVQPBCXLSNVDNAQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.69
Rot. Bonds2

About 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane

4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 91660413) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID91660413
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCC1CCCCC1CN1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO2/c1-14-4-2-3-5-15(14)12-17-8-11-19-16(13-17)6-9-18-10-7-16/h14-15H,2-13H2,1H3
InChIKeyVQPBCXLSNVDNAQ-UHFFFAOYSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane (CID 91660413) is 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane is CC1CCCCC1CN1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is VQPBCXLSNVDNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14-4-2-3-5-15(14)12-17-8-11-19-16(13-17)6-9-18-10-7-16/h14-15H,2-13H2,1H3.
What are the key properties of 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane?
4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 267.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 91660413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).