1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane

C11H21NO — CID 126993210

IUPAC1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane
SMILESCCC(C)N1CCCC12CCOC2
InChIInChI=1S/C11H21NO/c1-3-10(2)12-7-4-5-11(12)6-8-13-9-11/h10H,3-9H2,1-2H3
InChIKeyVPJRDQVEJKVZHM-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds2

About 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane

1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 126993210) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane
PubChem CID126993210
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane
SMILESCCC(C)N1CCCC12CCOC2
InChIInChI=1S/C11H21NO/c1-3-10(2)12-7-4-5-11(12)6-8-13-9-11/h10H,3-9H2,1-2H3
InChIKeyVPJRDQVEJKVZHM-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane (CID 126993210) is 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane is CCC(C)N1CCCC12CCOC2.
What is the InChIKey of 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is VPJRDQVEJKVZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)12-7-4-5-11(12)6-8-13-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 126993210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).