N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine

C14H26F6N2 — CID 89292903

IUPACN-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CCNCCCN(C)C)CC(F)(F)CC(F)C(F)(F)F
InChIInChI=1S/C14H26F6N2/c1-11(5-7-21-6-4-8-22(2)3)9-13(16,17)10-12(15)14(18,19)20/h11-12,21H,4-10H2,1-3H3
InChIKeyWOGMODRWPHVIMT-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.87
Rot. Bonds11

About N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine

N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 89292903) has the molecular formula C14H26F6N2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID89292903
Molecular FormulaC14H26F6N2
Molecular Weight336.36 g/mol
Exact Mass336.20
IUPAC NameN-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CCNCCCN(C)C)CC(F)(F)CC(F)C(F)(F)F
InChIInChI=1S/C14H26F6N2/c1-11(5-7-21-6-4-8-22(2)3)9-13(16,17)10-12(15)14(18,19)20/h11-12,21H,4-10H2,1-3H3
InChIKeyWOGMODRWPHVIMT-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1,2,2,3,3-hexafluorononyl)-7-methyldecan-5-amine
CID 17948309
2,3,6,7-tetrafluoro-N-(4-methylpentyl)octan-1-amine
CID 22348889
N-(3-ethylheptyl)-1,1,2,2,3,3-hexafluorononan-1-amine
CID 22637418
3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine
CID 22637491
5-ethyl-N-(1,1,2,2,3,3-hexafluorononyl)-2-methyloctan-1-amine
CID 22637662
5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine
CID 23123210
2,3,6,7-tetrafluoro-N-(3-methylpentyl)octan-1-amine
CID 87969912
N-[3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hexyl]-N',N'-dimethylpropane-1,3-diamine
CID 89189108
N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide
CID 89292920
N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine
CID 89292933
N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine
CID 89292987
N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
CID 89380839

Frequently Asked Questions

What is the IUPAC name of N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine (CID 89292903) is N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine is CC(CCNCCCN(C)C)CC(F)(F)CC(F)C(F)(F)F.
What is the InChIKey of N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is WOGMODRWPHVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F6N2/c1-11(5-7-21-6-4-8-22(2)3)9-13(16,17)10-12(15)14(18,19)20/h11-12,21H,4-10H2,1-3H3.
What are the key properties of N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine?
N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 336.36 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 89292903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).