2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane

C22H48N2 — CID 156829992

IUPAC2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
SMILESCC.CC.CCCCCN1CCC2(CC1)CCN(CCCCC)C2
InChIInChI=1S/C18H36N2.2C2H6/c1-3-5-7-12-19-14-9-18(10-15-19)11-16-20(17-18)13-8-6-4-2;2*1-2/h3-17H2,1-2H3;2*1-2H3
InChIKeyDHYGODIEMKKMAP-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.21
Rot. Bonds8

About 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane

2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane (PubChem CID 156829992) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane.

Molecular Properties

Compound Name2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
PubChem CID156829992
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC Name2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
SMILESCC.CC.CCCCCN1CCC2(CC1)CCN(CCCCC)C2
InChIInChI=1S/C18H36N2.2C2H6/c1-3-5-7-12-19-14-9-18(10-15-19)11-16-20(17-18)13-8-6-4-2;2*1-2/h3-17H2,1-2H3;2*1-2H3
InChIKeyDHYGODIEMKKMAP-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
3,3-difluoro-1-heptylpyrrolidine
CID 174988522
4,4-difluoro-1-heptylpiperidine
CID 138507375
5-butyl-5-azaspiro[2.5]octane
CID 130224729
1-hexyl-4,4-dimethylpiperidine
CID 18722930
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4,4-dimethyl-1-pentylazepane
CID 18723213
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089

Frequently Asked Questions

What is the IUPAC name of 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane?
The IUPAC name of 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane (CID 156829992) is 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane.
What is the SMILES notation for 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane?
The canonical SMILES for 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane is CC.CC.CCCCCN1CCC2(CC1)CCN(CCCCC)C2.
What is the InChIKey of 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane?
The InChIKey is DHYGODIEMKKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2.2C2H6/c1-3-5-7-12-19-14-9-18(10-15-19)11-16-20(17-18)13-8-6-4-2;2*1-2/h3-17H2,1-2H3;2*1-2H3.
What are the key properties of 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane?
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane has a molecular weight of 340.64 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane is sourced from PubChem (CID 156829992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).