8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane

C9H18N2O — CID 129231155

IUPAC8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CCOC2(CNC2)C1
InChIInChI=1S/C9H18N2O/c1-8(2)11-3-4-12-9(7-11)5-10-6-9/h8,10H,3-7H2,1-2H3
InChIKeyYXTQJXDNBXTDOM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

About 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane

8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 129231155) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID129231155
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CCOC2(CNC2)C1
InChIInChI=1S/C9H18N2O/c1-8(2)11-3-4-12-9(7-11)5-10-6-9/h8,10H,3-7H2,1-2H3
InChIKeyYXTQJXDNBXTDOM-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane (CID 129231155) is 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane is CC(C)N1CCOC2(CNC2)C1.
What is the InChIKey of 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is YXTQJXDNBXTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)11-3-4-12-9(7-11)5-10-6-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane?
8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 170.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 129231155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).