4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine

C18H21F14N5 — CID 559484

IUPAC4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C18H21F14N5/c1-4-37(5-2)8-6-7-9(3)33-12-35-10(13(19,20)15(23,24)17(27,28)29)34-11(36-12)14(21,22)16(25,26)18(30,31)32/h9H,4-8H2,1-3H3,(H,33,34,35,36)
InChIKeyDOVUMOREJDZHLU-UHFFFAOYSA-N
MW573.37 g/mol
LogP6.37
Rot. Bonds12

About 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 559484) has the molecular formula C18H21F14N5 and a molecular weight of 573.37 g/mol. Its IUPAC name is 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID559484
Molecular FormulaC18H21F14N5
Molecular Weight573.37 g/mol
Exact Mass573.16
IUPAC Name4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C18H21F14N5/c1-4-37(5-2)8-6-7-9(3)33-12-35-10(13(19,20)15(23,24)17(27,28)29)34-11(36-12)14(21,22)16(25,26)18(30,31)32/h9H,4-8H2,1-3H3,(H,33,34,35,36)
InChIKeyDOVUMOREJDZHLU-UHFFFAOYSA-N
XLogP6.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.37
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

s-Triazine, 2-amino-4-cyclohexylamino-6-trifluoromethyl-
CID 120801
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazin-2-amine, N-cyclohexyl-4-methyl-6-(trifluoromethyl)-
CID 3041969
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
CID 171358992
2,4-Bis[perfluoromethyl]-6-[[(3-dimethylamino)propyl]amino]-1,2,3-triazine
CID 547272
2-Amino-4-(butylamino)-6-(trifluoromethyl)-1,3,5-triazine
CID 606072
2-(Propylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 635903
1,3,5-Triazine, 2-isopropylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 635970
6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769869
6-(2-fluoropropan-2-yl)-2-N-pentan-2-yl-1,3,5-triazine-2,4-diamine
CID 18769877

Frequently Asked Questions

What is the IUPAC name of 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine (CID 559484) is 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is DOVUMOREJDZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F14N5/c1-4-37(5-2)8-6-7-9(3)33-12-35-10(13(19,20)15(23,24)17(27,28)29)34-11(36-12)14(21,22)16(25,26)18(30,31)32/h9H,4-8H2,1-3H3,(H,33,34,35,36).
What are the key properties of 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 573.37 g/mol, XLogP of 6.37, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-yl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 559484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).