N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C8H17N5 — CID 136590863

IUPACN-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCCN(C)C1=NC(C)N/C(=N\C)N1
InChIInChI=1S/C8H17N5/c1-5-13(4)8-11-6(2)10-7(9-3)12-8/h6H,5H2,1-4H3,(H2,9,10,11,12)
InChIKeyHNOGEUUJAZAUFL-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.18
Rot. Bonds1

About N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590863) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590863
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC NameN-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCCN(C)C1=NC(C)N/C(=N\C)N1
InChIInChI=1S/C8H17N5/c1-5-13(4)8-11-6(2)10-7(9-3)12-8/h6H,5H2,1-4H3,(H2,9,10,11,12)
InChIKeyHNOGEUUJAZAUFL-UHFFFAOYSA-N
XLogP-0.18
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590863) is N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is CCN(C)C1=NC(C)N/C(=N\C)N1.
What is the InChIKey of N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is HNOGEUUJAZAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-5-13(4)8-11-6(2)10-7(9-3)12-8/h6H,5H2,1-4H3,(H2,9,10,11,12).
What are the key properties of N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 183.26 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).