2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane

C10H19NO — CID 155238981

IUPAC2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)C1COC2(C1)CN(C)C2
InChIInChI=1S/C10H19NO/c1-8(2)9-4-10(12-5-9)6-11(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyNIPVCFNKJQVYDN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.36
Rot. Bonds1

About 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane

2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 155238981) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
PubChem CID155238981
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)C1COC2(C1)CN(C)C2
InChIInChI=1S/C10H19NO/c1-8(2)9-4-10(12-5-9)6-11(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyNIPVCFNKJQVYDN-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane (CID 155238981) is 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane is CC(C)C1COC2(C1)CN(C)C2.
What is the InChIKey of 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is NIPVCFNKJQVYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9-4-10(12-5-9)6-11(3)7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 169.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 155238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).