N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C21H28ClN7 — CID 3092763

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C21H28ClN7/c1-16(17-8-10-18(22)11-9-17)26-27-19-23-20(28-12-4-2-5-13-28)25-21(24-19)29-14-6-3-7-15-29/h8-11H,2-7,12-15H2,1H3,(H,23,24,25,27)
InChIKeyMNNQWFUTBVZXNE-UHFFFAOYSA-N
MW413.96 g/mol
LogP4.34
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 3092763) has the molecular formula C21H28ClN7 and a molecular weight of 413.96 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID3092763
Molecular FormulaC21H28ClN7
Molecular Weight413.96 g/mol
Exact Mass413.21
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C21H28ClN7/c1-16(17-8-10-18(22)11-9-17)26-27-19-23-20(28-12-4-2-5-13-28)25-21(24-19)29-14-6-3-7-15-29/h8-11H,2-7,12-15H2,1H3,(H,23,24,25,27)
InChIKeyMNNQWFUTBVZXNE-UHFFFAOYSA-N
XLogP4.34
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
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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Related Compounds

N-[4-[(E)-N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6160374
4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
2-[N-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 3787858
2-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978815
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
CID 6264891
4-N-(3-bromophenyl)-2-N-[1-(4-chlorophenyl)ethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3589879
N-[(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3938710
2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171980798
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865535
2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
CID 4291691

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 3092763) is N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is CC(=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is MNNQWFUTBVZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN7/c1-16(17-8-10-18(22)11-9-17)26-27-19-23-20(28-12-4-2-5-13-28)25-21(24-19)29-14-6-3-7-15-29/h8-11H,2-7,12-15H2,1H3,(H,23,24,25,27).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 413.96 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3092763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).