8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane

C18H36N2 — CID 64946256

IUPAC8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCC(C)N1CC2(CCCC2)NCC1CC
InChIInChI=1S/C18H36N2/c1-4-6-7-8-11-16(3)20-15-18(12-9-10-13-18)19-14-17(20)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyOHHLDVPDWOOYMU-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.34
Rot. Bonds7

About 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane

8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64946256) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64946256
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCC(C)N1CC2(CCCC2)NCC1CC
InChIInChI=1S/C18H36N2/c1-4-6-7-8-11-16(3)20-15-18(12-9-10-13-18)19-14-17(20)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyOHHLDVPDWOOYMU-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane
CID 64930793
9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217
3-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)-N,N-dimethylbutan-1-amine
CID 64947270
5-cyclopropyl-2-ethyl-5-methyl-1-octan-2-ylpiperazine
CID 64948368
3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
CID 64945645
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
CID 106224522
2-ethyl-5,5-dimethyl-1-pentan-2-ylpiperazine
CID 64931991
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
8-methyl-9-octan-4-yl-6,9-diazaspiro[4.5]decane
CID 106027228

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane (CID 64946256) is 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane is CCCCCCC(C)N1CC2(CCCC2)NCC1CC.
What is the InChIKey of 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is OHHLDVPDWOOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-6-7-8-11-16(3)20-15-18(12-9-10-13-18)19-14-17(20)5-2/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane?
8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 280.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64946256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).