N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine

C18H40F6N2 — CID 158047252

IUPACN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
SMILESC.C.CC(C)C(C)N(C)CC(F)(F)F.CC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/2C8H16F3N.2CH4/c1-6(2)7(3)12(4)5-8(9,10)11;1-6(2)5-7(12(3)4)8(9,10)11;;/h2*6-7H,5H2,1-4H3;2*1H4
InChIKeyFJBIAXSEDMKUSP-UHFFFAOYSA-N
MW398.52 g/mol
LogP6.32
Rot. Bonds6

About N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine

N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine (PubChem CID 158047252) has the molecular formula C18H40F6N2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
PubChem CID158047252
Molecular FormulaC18H40F6N2
Molecular Weight398.52 g/mol
Exact Mass398.31
IUPAC NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
SMILESC.C.CC(C)C(C)N(C)CC(F)(F)F.CC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/2C8H16F3N.2CH4/c1-6(2)7(3)12(4)5-8(9,10)11;1-6(2)5-7(12(3)4)8(9,10)11;;/h2*6-7H,5H2,1-4H3;2*1H4
InChIKeyFJBIAXSEDMKUSP-UHFFFAOYSA-N
XLogP6.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.52
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
The IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine (CID 158047252) is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
The canonical SMILES for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine is C.C.CC(C)C(C)N(C)CC(F)(F)F.CC(C)CC(N(C)C)C(F)(F)F.
What is the InChIKey of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
The InChIKey is FJBIAXSEDMKUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16F3N.2CH4/c1-6(2)7(3)12(4)5-8(9,10)11;1-6(2)5-7(12(3)4)8(9,10)11;;/h2*6-7H,5H2,1-4H3;2*1H4.
What are the key properties of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine has a molecular weight of 398.52 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;methane;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine is sourced from PubChem (CID 158047252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).