9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C18H36N2 — CID 115327089

IUPAC9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCCCN1CC2(CCCC2)NCC1C(C)C
InChIInChI=1S/C18H36N2/c1-15(2)9-5-8-12-20-14-18(10-6-7-11-18)19-13-17(20)16(3)4/h15-17,19H,5-14H2,1-4H3
InChIKeyJQMVJVKDIHORCQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 115327089) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID115327089
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCCCN1CC2(CCCC2)NCC1C(C)C
InChIInChI=1S/C18H36N2/c1-15(2)9-5-8-12-20-14-18(10-6-7-11-18)19-13-17(20)16(3)4/h15-17,19H,5-14H2,1-4H3
InChIKeyJQMVJVKDIHORCQ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 115327089) is 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)CCCCN1CC2(CCCC2)NCC1C(C)C.
What is the InChIKey of 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is JQMVJVKDIHORCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)9-5-8-12-20-14-18(10-6-7-11-18)19-13-17(20)16(3)4/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 115327089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).