2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine

C10H14F9N — CID 91419201

IUPAC2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
SMILESCCCC(C)CNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9N/c1-3-4-6(2)5-20-10(18,19)8(13,14)7(11,12)9(15,16)17/h6,20H,3-5H2,1-2H3
InChIKeyIFLFTTXRPPDDSK-UHFFFAOYSA-N
MW319.21 g/mol
LogP4.44
Rot. Bonds7

About 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine

2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine (PubChem CID 91419201) has the molecular formula C10H14F9N and a molecular weight of 319.21 g/mol. Its IUPAC name is 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
PubChem CID91419201
Molecular FormulaC10H14F9N
Molecular Weight319.21 g/mol
Exact Mass319.10
IUPAC Name2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
SMILESCCCC(C)CNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9N/c1-3-4-6(2)5-20-10(18,19)8(13,14)7(11,12)9(15,16)17/h6,20H,3-5H2,1-2H3
InChIKeyIFLFTTXRPPDDSK-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-amine
CID 87370892
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
3-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
CID 91298724
4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
CID 90911133
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
2-methyl-N-(trifluoromethyl)pentan-1-amine;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
CID 160516447
2-methyl-2-[[(2S)-2-methylpentyl]amino]propane-1,3-diol
CID 97358418
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
CID 90695405
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
CID 43731065
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
azane;N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-1-amine;phosphoric acid
CID 175539691
2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82712606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine (CID 91419201) is 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine is CCCC(C)CNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
The InChIKey is IFLFTTXRPPDDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9N/c1-3-4-6(2)5-20-10(18,19)8(13,14)7(11,12)9(15,16)17/h6,20H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine has a molecular weight of 319.21 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine is sourced from PubChem (CID 91419201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).