N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C24H34N8 — CID 3888608

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)c1ccc(C=CC=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C24H34N8/c1-30(2)21-13-11-20(12-14-21)10-9-15-25-29-22-26-23(31-16-5-3-6-17-31)28-24(27-22)32-18-7-4-8-19-32/h9-15H,3-8,16-19H2,1-2H3,(H,26,27,28,29)
InChIKeyUKQOKNKGPFYGJU-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.03
Rot. Bonds7

About N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 3888608) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID3888608
Molecular FormulaC24H34N8
Molecular Weight434.59 g/mol
Exact Mass434.29
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)c1ccc(C=CC=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C24H34N8/c1-30(2)21-13-11-20(12-14-21)10-9-15-25-29-22-26-23(31-16-5-3-6-17-31)28-24(27-22)32-18-7-4-8-19-32/h9-15H,3-8,16-19H2,1-2H3,(H,26,27,28,29)
InChIKeyUKQOKNKGPFYGJU-UHFFFAOYSA-N
XLogP4.03
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2844286
N-[3-(3-nitrophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3097051
4,6-bis(azepan-1-yl)-N-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 5186546
N-[(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3938710
2-N-[[4-(dimethylamino)phenyl]methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 4289951
2-N-(cinnamylideneamino)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 78460795
4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3092737
N-[[4-[2-(4-hexoxyphenoxy)ethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 5146690
N-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3871762
2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 6087718
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide
CID 5087294

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 3888608) is N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is CN(C)c1ccc(C=CC=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is UKQOKNKGPFYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8/c1-30(2)21-13-11-20(12-14-21)10-9-15-25-29-22-26-23(31-16-5-3-6-17-31)28-24(27-22)32-18-7-4-8-19-32/h9-15H,3-8,16-19H2,1-2H3,(H,26,27,28,29).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 434.59 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3888608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).