6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane

C12H21NO — CID 168841951

IUPAC6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)CC1(N2CC3(COC3)C2)CC1
InChIInChI=1S/C12H21NO/c1-10(2)5-12(3-4-12)13-6-11(7-13)8-14-9-11/h10H,3-9H2,1-2H3
InChIKeyKLVFDHFJIQPVOX-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.90
Rot. Bonds3

About 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane

6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 168841951) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID168841951
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)CC1(N2CC3(COC3)C2)CC1
InChIInChI=1S/C12H21NO/c1-10(2)5-12(3-4-12)13-6-11(7-13)8-14-9-11/h10H,3-9H2,1-2H3
InChIKeyKLVFDHFJIQPVOX-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane (CID 168841951) is 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane is CC(C)CC1(N2CC3(COC3)C2)CC1.
What is the InChIKey of 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is KLVFDHFJIQPVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)5-12(3-4-12)13-6-11(7-13)8-14-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 195.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylpropyl)cyclopropyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 168841951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).