2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

C14H20N8 — CID 10424878

IUPAC2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(N/N=C/c2ccccc2N)n1
InChIInChI=1S/C14H20N8/c1-3-16-12-19-13(17-4-2)21-14(20-12)22-18-9-10-7-5-6-8-11(10)15/h5-9H,3-4,15H2,1-2H3,(H3,16,17,19,20,21,22)/b18-9+
InChIKeyPRPHXKMBEVQZBE-GIJQJNRQSA-N
MW300.37 g/mol
LogP1.76
Rot. Bonds7

About 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 10424878) has the molecular formula C14H20N8 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID10424878
Molecular FormulaC14H20N8
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(N/N=C/c2ccccc2N)n1
InChIInChI=1S/C14H20N8/c1-3-16-12-19-13(17-4-2)21-14(20-12)22-18-9-10-7-5-6-8-11(10)15/h5-9H,3-4,15H2,1-2H3,(H3,16,17,19,20,21,22)/b18-9+
InChIKeyPRPHXKMBEVQZBE-GIJQJNRQSA-N
XLogP1.76
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-N-[(E)-(2-bromophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 42992321
4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 135734076
2-(ethyliminomethyl)aniline
CID 55289116
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
2-[[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136691673
6-N-benzyl-4-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 6092695
4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 3726501
6-N-benzyl-2-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171978862
2-[(Z)-[[4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136898159
2-N-[(2-chlorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962085
1-[(Z)-[[4-(ethylamino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 137156839
2-N-[(2-fluorophenyl)methylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 2853247

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 10424878) is 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(N/N=C/c2ccccc2N)n1.
What is the InChIKey of 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PRPHXKMBEVQZBE-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H20N8/c1-3-16-12-19-13(17-4-2)21-14(20-12)22-18-9-10-7-5-6-8-11(10)15/h5-9H,3-4,15H2,1-2H3,(H3,16,17,19,20,21,22)/b18-9+.
What are the key properties of 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 300.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10424878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).