ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane

C18H40N2 — CID 171554465

IUPACethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CCCCCN1CCC2(CC1)CN(CC)C2
InChIInChI=1S/C14H28N2.2C2H6/c1-3-5-6-9-16-10-7-14(8-11-16)12-15(4-2)13-14;2*1-2/h3-13H2,1-2H3;2*1-2H3
InChIKeyGZBFKCMIIQPOEZ-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.65
Rot. Bonds5

About ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane

ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane (PubChem CID 171554465) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
PubChem CID171554465
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Nameethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CCCCCN1CCC2(CC1)CN(CC)C2
InChIInChI=1S/C14H28N2.2C2H6/c1-3-5-6-9-16-10-7-14(8-11-16)12-15(4-2)13-14;2*1-2/h3-13H2,1-2H3;2*1-2H3
InChIKeyGZBFKCMIIQPOEZ-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.65
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

2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
4,4-difluoro-1-heptylpiperidine
CID 138507375
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
1-hexyl-4,4-dimethylpiperidine
CID 18722930
3,3-difluoro-1-heptylpyrrolidine
CID 174988522
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane (CID 171554465) is ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane is CC.CC.CCCCCN1CCC2(CC1)CN(CC)C2.
What is the InChIKey of ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is GZBFKCMIIQPOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.2C2H6/c1-3-5-6-9-16-10-7-14(8-11-16)12-15(4-2)13-14;2*1-2/h3-13H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane?
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 284.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171554465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).