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

C17H31N5O — CID 133420011

IUPACN,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC(OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H31N5O/c1-12(2)14-18-15(21(6)7)20-16(19-14)22-10-8-13(9-11-22)23-17(3,4)5/h12-13H,8-11H2,1-7H3
InChIKeyJYYROVOSSRQMAX-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.84
Rot. Bonds4

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

N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133420011) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133420011
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC(OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H31N5O/c1-12(2)14-18-15(21(6)7)20-16(19-14)22-10-8-13(9-11-22)23-17(3,4)5/h12-13H,8-11H2,1-7H3
InChIKeyJYYROVOSSRQMAX-UHFFFAOYSA-N
XLogP2.84
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133420011) is N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCC(OC(C)(C)C)CC2)n1.
What is the InChIKey of N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is JYYROVOSSRQMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-12(2)14-18-15(21(6)7)20-16(19-14)22-10-8-13(9-11-22)23-17(3,4)5/h12-13H,8-11H2,1-7H3.
What are the key properties of N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine?
N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 321.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133420011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).