8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane

C16H32N2O — CID 82947690

IUPAC8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
SMILESCCCOCCCN1CC2(CCCC2)NCC1CC
InChIInChI=1S/C16H32N2O/c1-3-11-19-12-7-10-18-14-16(8-5-6-9-16)17-13-15(18)4-2/h15,17H,3-14H2,1-2H3
InChIKeyHSSYHPYDRYROIB-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds7

About 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane

8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 82947690) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
PubChem CID82947690
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
SMILESCCCOCCCN1CC2(CCCC2)NCC1CC
InChIInChI=1S/C16H32N2O/c1-3-11-19-12-7-10-18-14-16(8-5-6-9-16)17-13-15(18)4-2/h15,17H,3-14H2,1-2H3
InChIKeyHSSYHPYDRYROIB-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-9-[3-(2-methoxyethoxy)propyl]-6,9-diazaspiro[4.5]decane
CID 103414318
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 65178246
3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458748
4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
CID 64945821
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733186
2,5,5-triethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64862346
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
8-ethyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016543
3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64946723

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane (CID 82947690) is 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane is CCCOCCCN1CC2(CCCC2)NCC1CC.
What is the InChIKey of 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is HSSYHPYDRYROIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-11-19-12-7-10-18-14-16(8-5-6-9-16)17-13-15(18)4-2/h15,17H,3-14H2,1-2H3.
What are the key properties of 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 268.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 82947690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).