N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine

C13H21N5O — CID 3601901

IUPACN,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-4-10-19-13-15-11(17(2)3)14-12(16-13)18-8-6-5-7-9-18/h4H,1,5-10H2,2-3H3
InChIKeyVTDLVFXHJMLOTP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds5

About N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine

N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 3601901) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID3601901
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-4-10-19-13-15-11(17(2)3)14-12(16-13)18-8-6-5-7-9-18/h4H,1,5-10H2,2-3H3
InChIKeyVTDLVFXHJMLOTP-UHFFFAOYSA-N
XLogP1.49
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-Dipiperidyl-6-prop-2-enyloxy-1,3,5-triazine
CID 558854
4-(allyloxy)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2187729
2-Allyloxy-4-morpholin-4-yl-6-piperidin-1-yl-[1,3,5]triazine
CID 2059923
2-Allyloxy-4-ethoxy-6-piperidin-1-yl-[1,3,5]triazine
CID 3286572
4-Methoxy-6-prop-2-enyloxy-2-pyrrolidinyl-1,3,5-triazine
CID 4020909
2,4-Bis(prop-2-enoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 12205825
2-(4-Methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20520714
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]morpholine
CID 68149051
6-prop-2-enoxy-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303275
N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303278
4-N-methyl-6-prop-2-enoxy-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303286
2-N,4-N-dimethyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303303

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 3601901) is N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(N(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is VTDLVFXHJMLOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-10-19-13-15-11(17(2)3)14-12(16-13)18-8-6-5-7-9-18/h4H,1,5-10H2,2-3H3.
What are the key properties of N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 3601901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).