4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine

C19H34Cl2N4 — CID 14345021

IUPAC4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCN(CCCCCCCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C19H34Cl2N4/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)19-23-17(20)22-18(21)24-19/h3-16H2,1-2H3
InChIKeyYFHASYMRSHOOGV-UHFFFAOYSA-N
MW389.42 g/mol
LogP6.71
Rot. Bonds15

About 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine

4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine (PubChem CID 14345021) has the molecular formula C19H34Cl2N4 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine
PubChem CID14345021
Molecular FormulaC19H34Cl2N4
Molecular Weight389.42 g/mol
Exact Mass388.22
IUPAC Name4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCN(CCCCCCCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C19H34Cl2N4/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)19-23-17(20)22-18(21)24-19/h3-16H2,1-2H3
InChIKeyYFHASYMRSHOOGV-UHFFFAOYSA-N
XLogP6.71
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261617
4-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264920
N,N-dibutyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 15355831
4,6-dichloro-N-dodecyl-1,3,5-triazin-2-amine
CID 33332
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrabutyl-6-chloro-
CID 3750346
1,3,5-Triazine-2,4-diamine, N'-butyl-6-chloro-N,N-dihexyl-
CID 615065
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-dihexyl-N'-pentyl-
CID 618093
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-dihexyl-N'-propyl-
CID 625068
2-Octylamino 4,6-dichloro-s-triazine
CID 3107864
1,3,5-Triazine-2,4,6-triamine, N,N-dioctadecyl-
CID 12113048
Dioctadecylamino-1,3,5-triazine
CID 129651822
4,6-Dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 10520613

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine (CID 14345021) is 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine is CCCCCCCCN(CCCCCCCC)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine?
The InChIKey is YFHASYMRSHOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Cl2N4/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)19-23-17(20)22-18(21)24-19/h3-16H2,1-2H3.
What are the key properties of 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine?
4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine has a molecular weight of 389.42 g/mol, XLogP of 6.71, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-dioctyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 14345021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).