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

C9H17NO — CID 177200703

IUPAC5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)C1CNCC12COC2
InChIInChI=1S/C9H17NO/c1-7(2)8-3-10-4-9(8)5-11-6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJKUVCBGNBALTMQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds1

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

5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane (PubChem CID 177200703) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
PubChem CID177200703
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)C1CNCC12COC2
InChIInChI=1S/C9H17NO/c1-7(2)8-3-10-4-9(8)5-11-6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJKUVCBGNBALTMQ-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Propan-2-yl)pyrrolidin-3-yl]methanol
CID 80082382
3-(Methoxymethyl)-2,2-dimethylpyrrolidine hydrochloride
CID 155820030
5,9-Dimethyl-2-oxa-7-azaspiro[3.5]nonane
CID 83959973
1-(4-ethyloxolan-3-yl)-N-methylmethanamine
CID 85706168
(4-Methyl-4-propan-2-ylpyrrolidin-3-yl)methanol
CID 90167866
N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]ethanamine
CID 117546203
3-[(3-Methyloxetan-3-yl)methyl]pyrrolidine
CID 117546677
5-Methyl-2-oxa-7-azaspiro[3.4]octane
CID 118669322
3-tert-butyl-N-(oxetan-3-ylmethyl)hexan-1-amine
CID 123709109
9-Methyl-2-oxa-7-azaspiro[4.4]nonane
CID 130916022
6-Methyl-2-oxa-7-azaspiro[3.4]octane
CID 135259338
3-(Ethoxymethyl)-4-ethylpyrrolidine
CID 137436752

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane (CID 177200703) is 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane is CC(C)C1CNCC12COC2.
What is the InChIKey of 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is JKUVCBGNBALTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)8-3-10-4-9(8)5-11-6-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 155.24 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 177200703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).