2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride

C9H19Cl2N3O — CID 67893367

IUPAC2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride
SMILESCN1CCC2(CC1)CC(=O)N(C)N2.Cl.Cl
InChIInChI=1S/C9H17N3O.2ClH/c1-11-5-3-9(4-6-11)7-8(13)12(2)10-9;;/h10H,3-7H2,1-2H3;2*1H
InChIKeyRIGJDPWQAFHOND-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.66
Rot. Bonds

About 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride

2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride (PubChem CID 67893367) has the molecular formula C9H19Cl2N3O and a molecular weight of 256.18 g/mol. Its IUPAC name is 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride.

Molecular Properties

Compound Name2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride
PubChem CID67893367
Molecular FormulaC9H19Cl2N3O
Molecular Weight256.18 g/mol
Exact Mass255.09
IUPAC Name2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride
SMILESCN1CCC2(CC1)CC(=O)N(C)N2.Cl.Cl
InChIInChI=1S/C9H17N3O.2ClH/c1-11-5-3-9(4-6-11)7-8(13)12(2)10-9;;/h10H,3-7H2,1-2H3;2*1H
InChIKeyRIGJDPWQAFHOND-UHFFFAOYSA-N
XLogP0.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride?
The IUPAC name of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride (CID 67893367) is 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride.
What is the SMILES notation for 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride?
The canonical SMILES for 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride is CN1CCC2(CC1)CC(=O)N(C)N2.Cl.Cl.
What is the InChIKey of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride?
The InChIKey is RIGJDPWQAFHOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.2ClH/c1-11-5-3-9(4-6-11)7-8(13)12(2)10-9;;/h10H,3-7H2,1-2H3;2*1H.
What are the key properties of 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride?
2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride has a molecular weight of 256.18 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,2,8-triazaspiro[4.5]decan-3-one;dihydrochloride is sourced from PubChem (CID 67893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).