8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane

C15H26N2 — CID 106224522

IUPAC8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
SMILESC#CC(CC)N1CC2(CCCC2)NCC1CC
InChIInChI=1S/C15H26N2/c1-4-13(5-2)17-12-15(9-7-8-10-15)16-11-14(17)6-3/h1,13-14,16H,5-12H2,2-3H3
InChIKeyGWHUBAGGIHTPJB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.39
Rot. Bonds3

About 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane

8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane (PubChem CID 106224522) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
PubChem CID106224522
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
SMILESC#CC(CC)N1CC2(CCCC2)NCC1CC
InChIInChI=1S/C15H26N2/c1-4-13(5-2)17-12-15(9-7-8-10-15)16-11-14(17)6-3/h1,13-14,16H,5-12H2,2-3H3
InChIKeyGWHUBAGGIHTPJB-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224493
3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
CID 64945645
8-ethyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane
CID 64930793
3-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)-N,N-dimethylbutan-1-amine
CID 64947270
8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946256
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79231699
9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64948572
3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
CID 113466942
8-methyl-9-(2-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 64947965
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64941030

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane (CID 106224522) is 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane is C#CC(CC)N1CC2(CCCC2)NCC1CC.
What is the InChIKey of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is GWHUBAGGIHTPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-13(5-2)17-12-15(9-7-8-10-15)16-11-14(17)6-3/h1,13-14,16H,5-12H2,2-3H3.
What are the key properties of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane?
8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 234.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 106224522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).