N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine

C13H22N6O — CID 942534

IUPACN,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
SMILESCC(C)=NOc1nc(N(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c1-10(2)17-20-13-15-11(18(3)4)14-12(16-13)19-8-6-5-7-9-19/h5-9H2,1-4H3
InChIKeyPIDJADDVKRXJAB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.70
Rot. Bonds4

About N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine

N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine (PubChem CID 942534) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
PubChem CID942534
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC NameN,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
SMILESCC(C)=NOc1nc(N(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c1-10(2)17-20-13-15-11(18(3)4)14-12(16-13)19-8-6-5-7-9-19/h5-9H2,1-4H3
InChIKeyPIDJADDVKRXJAB-UHFFFAOYSA-N
XLogP1.70
TPSA66.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine (CID 942534) is N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine is CC(C)=NOc1nc(N(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
The InChIKey is PIDJADDVKRXJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-10(2)17-20-13-15-11(18(3)4)14-12(16-13)19-8-6-5-7-9-19/h5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-piperidin-1-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 942534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).