(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine

C11H22F3N — CID 166869742

IUPAC(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
SMILESCC[C@@H](CC(C)(C)C)N(C)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-6-9(7-10(2,3)4)15(5)8-11(12,13)14/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyGWMLGAXHYYWOCI-VIFPVBQESA-N
MW225.30 g/mol
LogP3.70
Rot. Bonds4

About (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine

(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine (PubChem CID 166869742) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine.

Molecular Properties

Compound Name(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
PubChem CID166869742
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
SMILESCC[C@@H](CC(C)(C)C)N(C)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-6-9(7-10(2,3)4)15(5)8-11(12,13)14/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyGWMLGAXHYYWOCI-VIFPVBQESA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 60892901
3-[methyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 60891383
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225819
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 165461902
2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol
CID 114495374
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64586680
4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 123736635
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
N,2-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 123617319

Frequently Asked Questions

What is the IUPAC name of (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine?
The IUPAC name of (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine (CID 166869742) is (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine.
What is the SMILES notation for (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine?
The canonical SMILES for (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine is CC[C@@H](CC(C)(C)C)N(C)CC(F)(F)F.
What is the InChIKey of (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine?
The InChIKey is GWMLGAXHYYWOCI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22F3N/c1-6-9(7-10(2,3)4)15(5)8-11(12,13)14/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine?
(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine has a molecular weight of 225.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine is sourced from PubChem (CID 166869742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).