6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine

C9H17N5 — CID 137154658

IUPAC6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C(C)CC1N=C(N)N/C(=N/CC)N1
InChIInChI=1S/C9H17N5/c1-4-11-9-13-7(5-6(2)3)12-8(10)14-9/h7H,2,4-5H2,1,3H3,(H4,10,11,12,13,14)
InChIKeyCLAPSOGINIUQBJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.16
Rot. Bonds3

About 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine

6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 137154658) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID137154658
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C(C)CC1N=C(N)N/C(=N/CC)N1
InChIInChI=1S/C9H17N5/c1-4-11-9-13-7(5-6(2)3)12-8(10)14-9/h7H,2,4-5H2,1,3H3,(H4,10,11,12,13,14)
InChIKeyCLAPSOGINIUQBJ-UHFFFAOYSA-N
XLogP0.16
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
N,N'-diisopentenylguanidine
CID 91369226
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 91169175
1-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
2-Methyl-1-(2-methylidenebutyl)guanidine
CID 130672906
2-Methyl-1-(3-methylbut-3-enyl)guanidine
CID 130948714
1,2-Dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
CID 142877495
4,5-Dimethyl-2-methylimino-1,3-dihydropyrimidin-4-amine
CID 154455427

Frequently Asked Questions

What is the IUPAC name of 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 137154658) is 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine is C=C(C)CC1N=C(N)N/C(=N/CC)N1.
What is the InChIKey of 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is CLAPSOGINIUQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-11-9-13-7(5-6(2)3)12-8(10)14-9/h7H,2,4-5H2,1,3H3,(H4,10,11,12,13,14).
What are the key properties of 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 137154658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).