1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one

C14H27N3O2 — CID 167297710

IUPAC1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1C(C)(C)CC2(CC1(C)C)C(=O)NC(C)(C)N2O
InChIInChI=1S/C14H27N3O2/c1-11(2)8-14(9-12(3,4)16(11)7)10(18)15-13(5,6)17(14)19/h19H,8-9H2,1-7H3,(H,15,18)
InChIKeyUVULZPOMJOMHEP-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.57
Rot. Bonds

About 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one

1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 167297710) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID167297710
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1C(C)(C)CC2(CC1(C)C)C(=O)NC(C)(C)N2O
InChIInChI=1S/C14H27N3O2/c1-11(2)8-14(9-12(3,4)16(11)7)10(18)15-13(5,6)17(14)19/h19H,8-9H2,1-7H3,(H,15,18)
InChIKeyUVULZPOMJOMHEP-UHFFFAOYSA-N
XLogP1.57
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 167297710) is 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one is CN1C(C)(C)CC2(CC1(C)C)C(=O)NC(C)(C)N2O.
What is the InChIKey of 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is UVULZPOMJOMHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)8-14(9-12(3,4)16(11)7)10(18)15-13(5,6)17(14)19/h19H,8-9H2,1-7H3,(H,15,18).
What are the key properties of 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one?
1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 269.39 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,7,7,8,9,9-heptamethyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 167297710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).