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

C16H32F6N2 — CID 160805442

IUPACN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
SMILESCC(C)C(C)N(C)CC(F)(F)F.CC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/2C8H16F3N/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
InChIKeySDPWVTCBVPLTHE-UHFFFAOYSA-N
MW366.43 g/mol
LogP5.05
Rot. Bonds6

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

N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine (PubChem CID 160805442) has the molecular formula C16H32F6N2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
PubChem CID160805442
Molecular FormulaC16H32F6N2
Molecular Weight366.43 g/mol
Exact Mass366.25
IUPAC NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine
SMILESCC(C)C(C)N(C)CC(F)(F)F.CC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/2C8H16F3N/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
InChIKeySDPWVTCBVPLTHE-UHFFFAOYSA-N
XLogP5.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;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;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine (CID 160805442) is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;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;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;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine is 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;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
The InChIKey is SDPWVTCBVPLTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16F3N/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.
What are the key properties of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine?
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-2-amine;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine has a molecular weight of 366.43 g/mol, XLogP of 5.05, 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;1,1,1-trifluoro-N,N,4-trimethylpentan-2-amine is sourced from PubChem (CID 160805442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).