2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine

C14H28F3N — CID 153298701

IUPAC2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
SMILESCC(C)[C@H](NC(C)(C)CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H28F3N/c1-10(2)11(14(15,16)17)18-13(6,7)9-8-12(3,4)5/h10-11,18H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyVRKVOFHGJREDDH-NSHDSACASA-N
MW267.38 g/mol
LogP4.77
Rot. Bonds5

About 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine

2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine (PubChem CID 153298701) has the molecular formula C14H28F3N and a molecular weight of 267.38 g/mol. Its IUPAC name is 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
PubChem CID153298701
Molecular FormulaC14H28F3N
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
SMILESCC(C)[C@H](NC(C)(C)CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H28F3N/c1-10(2)11(14(15,16)17)18-13(6,7)9-8-12(3,4)5/h10-11,18H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyVRKVOFHGJREDDH-NSHDSACASA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-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 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
The IUPAC name of 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine (CID 153298701) is 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine.
What is the SMILES notation for 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
The canonical SMILES for 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine is CC(C)[C@H](NC(C)(C)CCC(C)(C)C)C(F)(F)F.
What is the InChIKey of 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
The InChIKey is VRKVOFHGJREDDH-NSHDSACASA-N. The full InChI is InChI=1S/C14H28F3N/c1-10(2)11(14(15,16)17)18-13(6,7)9-8-12(3,4)5/h10-11,18H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine is sourced from PubChem (CID 153298701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).