4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine

C11H14F11N — CID 90911133

IUPAC4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
SMILESCC(C)CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F11N/c1-6(2)4-3-5-23-11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h6,23H,3-5H2,1-2H3
InChIKeyMZSCMKYXLYYWIA-UHFFFAOYSA-N
MW369.22 g/mol
LogP5.07
Rot. Bonds8

About 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine

4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine (PubChem CID 90911133) has the molecular formula C11H14F11N and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
PubChem CID90911133
Molecular FormulaC11H14F11N
Molecular Weight369.22 g/mol
Exact Mass369.10
IUPAC Name4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
SMILESCC(C)CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F11N/c1-6(2)4-3-5-23-11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h6,23H,3-5H2,1-2H3
InChIKeyMZSCMKYXLYYWIA-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
CID 91298724
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
CID 90695405
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 91419201
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-amine
CID 87370892
4-methylpentyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)azanium
CID 22348777
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methylbutyl)nonanamide
CID 3089869
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-methylbutyl)heptanamide
CID 3089865
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
3-methyl-N-(trifluoromethyl)butan-1-amine
CID 91339211
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine
CID 22348872

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine (CID 90911133) is 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine is CC(C)CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine?
The InChIKey is MZSCMKYXLYYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F11N/c1-6(2)4-3-5-23-11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h6,23H,3-5H2,1-2H3.
What are the key properties of 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine?
4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine has a molecular weight of 369.22 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine is sourced from PubChem (CID 90911133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).