6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine

C17H35N5 — CID 135879961

IUPAC6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine
SMILESCCCCCCCCN1C(N)=N/C(=N\CCCC)NC1(C)C
InChIInChI=1S/C17H35N5/c1-5-7-9-10-11-12-14-22-15(18)20-16(19-13-8-6-2)21-17(22,3)4/h5-14H2,1-4H3,(H3,18,19,20,21)
InChIKeyJYSFUFGXGDGBMX-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.46
Rot. Bonds10

About 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine

6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine (PubChem CID 135879961) has the molecular formula C17H35N5 and a molecular weight of 309.50 g/mol. Its IUPAC name is 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine
PubChem CID135879961
Molecular FormulaC17H35N5
Molecular Weight309.50 g/mol
Exact Mass309.29
IUPAC Name6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine
SMILESCCCCCCCCN1C(N)=N/C(=N\CCCC)NC1(C)C
InChIInChI=1S/C17H35N5/c1-5-7-9-10-11-12-14-22-15(18)20-16(19-13-8-6-2)21-17(22,3)4/h5-14H2,1-4H3,(H3,18,19,20,21)
InChIKeyJYSFUFGXGDGBMX-UHFFFAOYSA-N
XLogP3.46
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.46
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'}

Analyze 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine with MolForge

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Related Compounds

6-decylimino-2,2-dimethyl-3-[(4-methylphenyl)methyl]-1H-1,3,5-triazin-4-amine
CID 135879934
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine
CID 13408472
N,1-di(nonyl)pyridin-4-imine
CID 14198651
N-decyl-1-[12-(4-decylimino-1-pyridinyl)dodecyl]pyridin-4-imine
CID 13408540
4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine
CID 163513706
4-amino-5-methyl-5-pentyl-1H-imidazol-2-one
CID 80560413
3-amino-4-octyl-1H-1,2,4-triazole-5-thione
CID 115565045
N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine dichloride
CID 170923435
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
sodium 5-hexyl-5-methyl-4-oxo-1,3-oxazol-2-olate
CID 23686616

Frequently Asked Questions

What is the IUPAC name of 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine (CID 135879961) is 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine is CCCCCCCCN1C(N)=N/C(=N\CCCC)NC1(C)C.
What is the InChIKey of 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine?
The InChIKey is JYSFUFGXGDGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5/c1-5-7-9-10-11-12-14-22-15(18)20-16(19-13-8-6-2)21-17(22,3)4/h5-14H2,1-4H3,(H3,18,19,20,21).
What are the key properties of 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine?
6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine has a molecular weight of 309.50 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylimino-2,2-dimethyl-3-octyl-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 135879961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).