1,8-diazaspiro[4.5]decan-4-ol

C8H16N2O — CID 115012189

IUPAC1,8-diazaspiro[4.5]decan-4-ol
SMILESOC1CCNC12CCNCC2
InChIInChI=1S/C8H16N2O/c11-7-1-4-10-8(7)2-5-9-6-3-8/h7,9-11H,1-6H2
InChIKeyDCTDNOWVWPGRCX-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.54
Rot. Bonds

About 1,8-diazaspiro[4.5]decan-4-ol

1,8-diazaspiro[4.5]decan-4-ol (PubChem CID 115012189) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]decan-4-ol
PubChem CID115012189
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,8-diazaspiro[4.5]decan-4-ol
SMILESOC1CCNC12CCNCC2
InChIInChI=1S/C8H16N2O/c11-7-1-4-10-8(7)2-5-9-6-3-8/h7,9-11H,1-6H2
InChIKeyDCTDNOWVWPGRCX-UHFFFAOYSA-N
XLogP-0.54
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[4.5]decan-4-ol?
The IUPAC name of 1,8-diazaspiro[4.5]decan-4-ol (CID 115012189) is 1,8-diazaspiro[4.5]decan-4-ol.
What is the SMILES notation for 1,8-diazaspiro[4.5]decan-4-ol?
The canonical SMILES for 1,8-diazaspiro[4.5]decan-4-ol is OC1CCNC12CCNCC2.
What is the InChIKey of 1,8-diazaspiro[4.5]decan-4-ol?
The InChIKey is DCTDNOWVWPGRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-7-1-4-10-8(7)2-5-9-6-3-8/h7,9-11H,1-6H2.
What are the key properties of 1,8-diazaspiro[4.5]decan-4-ol?
1,8-diazaspiro[4.5]decan-4-ol has a molecular weight of 156.23 g/mol, XLogP of -0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]decan-4-ol is sourced from PubChem (CID 115012189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).