9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride

C10H21Cl2N3O — CID 155895577

IUPAC9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
SMILESCC1CC2(CCN1C)NCCNC2=O.Cl.Cl
InChIInChI=1S/C10H19N3O.2ClH/c1-8-7-10(3-6-13(8)2)9(14)11-4-5-12-10;;/h8,12H,3-7H2,1-2H3,(H,11,14);2*1H
InChIKeyFOSUKRQBXLECQN-UHFFFAOYSA-N
MW270.20 g/mol
LogP0.40
Rot. Bonds

About 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride

9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride (PubChem CID 155895577) has the molecular formula C10H21Cl2N3O and a molecular weight of 270.20 g/mol. Its IUPAC name is 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride.

Molecular Properties

Compound Name9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
PubChem CID155895577
Molecular FormulaC10H21Cl2N3O
Molecular Weight270.20 g/mol
Exact Mass269.11
IUPAC Name9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride
SMILESCC1CC2(CCN1C)NCCNC2=O.Cl.Cl
InChIInChI=1S/C10H19N3O.2ClH/c1-8-7-10(3-6-13(8)2)9(14)11-4-5-12-10;;/h8,12H,3-7H2,1-2H3,(H,11,14);2*1H
InChIKeyFOSUKRQBXLECQN-UHFFFAOYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The IUPAC name of 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride (CID 155895577) is 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride.
What is the SMILES notation for 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The canonical SMILES for 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride is CC1CC2(CCN1C)NCCNC2=O.Cl.Cl.
What is the InChIKey of 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
The InChIKey is FOSUKRQBXLECQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.2ClH/c1-8-7-10(3-6-13(8)2)9(14)11-4-5-12-10;;/h8,12H,3-7H2,1-2H3,(H,11,14);2*1H.
What are the key properties of 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride?
9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride has a molecular weight of 270.20 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-1,4,9-triazaspiro[5.5]undecan-5-one;dihydrochloride is sourced from PubChem (CID 155895577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).