2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine

C14H21N5 — CID 136590889

IUPAC2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine
SMILESCC1N=C(N)N(C)/C(=N/CCCc2ccccc2)N1
InChIInChI=1S/C14H21N5/c1-11-17-13(15)19(2)14(18-11)16-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyZJHOSLGCEWBPMW-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.17
Rot. Bonds4

About 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine

2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine (PubChem CID 136590889) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine
PubChem CID136590889
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine
SMILESCC1N=C(N)N(C)/C(=N/CCCc2ccccc2)N1
InChIInChI=1S/C14H21N5/c1-11-17-13(15)19(2)14(18-11)16-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyZJHOSLGCEWBPMW-UHFFFAOYSA-N
XLogP1.17
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzyl(3-phenylpropyl)diazene
CID 54485219
methane;4-phenylbutylbenzene
CID 173386802
4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine
CID 83232450
diethoxy(3-phenylpropyl)silane
CID 123960403
1-methyl-6-methylidene-4-[1-(2-phenylethyl)piperidin-3-yl]-4,5-dihydropyrimidin-2-amine
CID 145461425
3,3,7-trimethyl-1-(3-phenylpropyl)-1,4-diazepane
CID 64870396
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288
N'-(3-phenylpropyl)cyclohexanecarboximidamide
CID 63175493
4-phenylbutylbenzene
CID 141301927
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
CID 12954845

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine (CID 136590889) is 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine is CC1N=C(N)N(C)/C(=N/CCCc2ccccc2)N1.
What is the InChIKey of 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine?
The InChIKey is ZJHOSLGCEWBPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-17-13(15)19(2)14(18-11)16-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine?
2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(3-phenylpropylimino)-1,2-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).