(2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol

C20H30N2O — CID 91921735

IUPAC(2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CC12CCN(C1CCC1)CC2
InChIInChI=1S/C20H30N2O/c23-15-18-14-21(13-17-5-2-1-3-6-17)16-20(18)9-11-22(12-10-20)19-7-4-8-19/h1-3,5-6,18-19,23H,4,7-16H2
InChIKeyBDMZIGIQYKOMJZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.75
Rot. Bonds4

About (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol

(2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol (PubChem CID 91921735) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol
PubChem CID91921735
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol
SMILESOCC1CN(Cc2ccccc2)CC12CCN(C1CCC1)CC2
InChIInChI=1S/C20H30N2O/c23-15-18-14-21(13-17-5-2-1-3-6-17)16-20(18)9-11-22(12-10-20)19-7-4-8-19/h1-3,5-6,18-19,23H,4,7-16H2
InChIKeyBDMZIGIQYKOMJZ-UHFFFAOYSA-N
XLogP2.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
The IUPAC name of (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol (CID 91921735) is (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol.
What is the SMILES notation for (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
The canonical SMILES for (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol is OCC1CN(Cc2ccccc2)CC12CCN(C1CCC1)CC2.
What is the InChIKey of (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
The InChIKey is BDMZIGIQYKOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-15-18-14-21(13-17-5-2-1-3-6-17)16-20(18)9-11-22(12-10-20)19-7-4-8-19/h1-3,5-6,18-19,23H,4,7-16H2.
What are the key properties of (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
(2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol has a molecular weight of 314.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-8-cyclobutyl-2,8-diazaspiro[4.5]decan-4-yl)methanol is sourced from PubChem (CID 91921735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).