ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium

C16H34N2OV — CID 171637865

IUPACethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium
SMILESCC.CCN1CC2(C1)CN(CCCCCCCO)C2.[V]
InChIInChI=1S/C14H28N2O.C2H6.V/c1-2-15-10-14(11-15)12-16(13-14)8-6-4-3-5-7-9-17;1-2;/h17H,2-13H2,1H3;1-2H3;
InChIKeyIVAIYMMVMFWWHL-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.59
Rot. Bonds8

About ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium

ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium (PubChem CID 171637865) has the molecular formula C16H34N2OV and a molecular weight of 321.41 g/mol. Its IUPAC name is ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium.

Molecular Properties

Compound Nameethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium
PubChem CID171637865
Molecular FormulaC16H34N2OV
Molecular Weight321.41 g/mol
Exact Mass321.21
IUPAC Nameethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium
SMILESCC.CCN1CC2(C1)CN(CCCCCCCO)C2.[V]
InChIInChI=1S/C14H28N2O.C2H6.V/c1-2-15-10-14(11-15)12-16(13-14)8-6-4-3-5-7-9-17;1-2;/h17H,2-13H2,1H3;1-2H3;
InChIKeyIVAIYMMVMFWWHL-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.59
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

7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol
CID 171637866
5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
CID 107319640
5-(3,3-dipropylazetidin-1-yl)pentan-1-ol
CID 107319611
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexan-1-ol
CID 107849721
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
2-(3-hydroxypropyl)-2-azaspiro[3.3]heptan-6-ol
CID 166894539
ethane;2-ethyl-8-methyl-2,8-diazaspiro[3.5]nonane
CID 177048791
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
2-ethyl-7-methyl-2,7-diazaspiro[3.4]octane
CID 59304538
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002

Frequently Asked Questions

What is the IUPAC name of ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium?
The IUPAC name of ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium (CID 171637865) is ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium.
What is the SMILES notation for ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium?
The canonical SMILES for ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium is CC.CCN1CC2(C1)CN(CCCCCCCO)C2.[V].
What is the InChIKey of ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium?
The InChIKey is IVAIYMMVMFWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.C2H6.V/c1-2-15-10-14(11-15)12-16(13-14)8-6-4-3-5-7-9-17;1-2;/h17H,2-13H2,1H3;1-2H3;.
What are the key properties of ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium?
ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium has a molecular weight of 321.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium is sourced from PubChem (CID 171637865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).