6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane

C10H19NO — CID 130211390

IUPAC6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCN1)COC2
InChIInChI=1S/C10H19NO/c1-8(2)9-5-10(3-4-11-9)6-12-7-10/h8-9,11H,3-7H2,1-2H3
InChIKeySCYMQEDXWKTSGM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds1

About 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane

6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 130211390) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID130211390
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CCN1)COC2
InChIInChI=1S/C10H19NO/c1-8(2)9-5-10(3-4-11-9)6-12-7-10/h8-9,11H,3-7H2,1-2H3
InChIKeySCYMQEDXWKTSGM-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane (CID 130211390) is 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane is CC(C)C1CC2(CCN1)COC2.
What is the InChIKey of 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is SCYMQEDXWKTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9-5-10(3-4-11-9)6-12-7-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane?
6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 169.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 130211390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).