8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane

C19H36N2 — CID 64861723

IUPAC8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCN1CC(C2CCCCC2)NCC12CCCC2
InChIInChI=1S/C19H36N2/c1-16(2)10-13-21-14-18(17-8-4-3-5-9-17)20-15-19(21)11-6-7-12-19/h16-18,20H,3-15H2,1-2H3
InChIKeyKKSXRJQLENYXLV-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds4

About 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane

8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64861723) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
PubChem CID64861723
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCN1CC(C2CCCCC2)NCC12CCCC2
InChIInChI=1S/C19H36N2/c1-16(2)10-13-21-14-18(17-8-4-3-5-9-17)20-15-19(21)11-6-7-12-19/h16-18,20H,3-15H2,1-2H3
InChIKeyKKSXRJQLENYXLV-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane (CID 64861723) is 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane is CC(C)CCN1CC(C2CCCCC2)NCC12CCCC2.
What is the InChIKey of 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is KKSXRJQLENYXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-16(2)10-13-21-14-18(17-8-4-3-5-9-17)20-15-19(21)11-6-7-12-19/h16-18,20H,3-15H2,1-2H3.
What are the key properties of 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane?
8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 292.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64861723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).