2-decan-3-yl-2,9-diazaspiro[4.5]decane

C18H36N2 — CID 156519144

IUPAC2-decan-3-yl-2,9-diazaspiro[4.5]decane
SMILESCCCCCCCC(CC)N1CCC2(CCCNC2)C1
InChIInChI=1S/C18H36N2/c1-3-5-6-7-8-10-17(4-2)20-14-12-18(16-20)11-9-13-19-15-18/h17,19H,3-16H2,1-2H3
InChIKeyXBJJBJRIFOBMJC-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds8

About 2-decan-3-yl-2,9-diazaspiro[4.5]decane

2-decan-3-yl-2,9-diazaspiro[4.5]decane (PubChem CID 156519144) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-decan-3-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-decan-3-yl-2,9-diazaspiro[4.5]decane
PubChem CID156519144
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-decan-3-yl-2,9-diazaspiro[4.5]decane
SMILESCCCCCCCC(CC)N1CCC2(CCCNC2)C1
InChIInChI=1S/C18H36N2/c1-3-5-6-7-8-10-17(4-2)20-14-12-18(16-20)11-9-13-19-15-18/h17,19H,3-16H2,1-2H3
InChIKeyXBJJBJRIFOBMJC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
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

2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102849402
1-decan-3-ylpiperidine
CID 68984931
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
CID 102850302
3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methyl-4-(trifluoromethyl)octan-1-one
CID 155474531
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine
CID 174348955
1-heptan-3-ylazetidine
CID 172721722
1-octan-2-yl-1,4-diazepane
CID 61057071
6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane
CID 166880914
1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 163884377

Frequently Asked Questions

What is the IUPAC name of 2-decan-3-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-decan-3-yl-2,9-diazaspiro[4.5]decane (CID 156519144) is 2-decan-3-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-decan-3-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-decan-3-yl-2,9-diazaspiro[4.5]decane is CCCCCCCC(CC)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2-decan-3-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is XBJJBJRIFOBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-5-6-7-8-10-17(4-2)20-14-12-18(16-20)11-9-13-19-15-18/h17,19H,3-16H2,1-2H3.
What are the key properties of 2-decan-3-yl-2,9-diazaspiro[4.5]decane?
2-decan-3-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 280.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-3-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 156519144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).