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

C14H28F3N — CID 162459725

IUPAC(2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
SMILESCC(C)[C@H](N(C)[C@@H](C)CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H28F3N/c1-10(2)12(14(15,16)17)18(7)11(3)8-9-13(4,5)6/h10-12H,8-9H2,1-7H3/t11-,12-/m0/s1
InChIKeyDVZNYVYTGRRYHE-RYUDHWBXSA-N
MW267.38 g/mol
LogP4.72
Rot. Bonds5

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

(2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine (PubChem CID 162459725) has the molecular formula C14H28F3N and a molecular weight of 267.38 g/mol. Its IUPAC name is (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine.

Molecular Properties

Compound Name(2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
PubChem CID162459725
Molecular FormulaC14H28F3N
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name(2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
SMILESCC(C)[C@H](N(C)[C@@H](C)CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H28F3N/c1-10(2)12(14(15,16)17)18(7)11(3)8-9-13(4,5)6/h10-12H,8-9H2,1-7H3/t11-,12-/m0/s1
InChIKeyDVZNYVYTGRRYHE-RYUDHWBXSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
The IUPAC name of (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine (CID 162459725) is (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine.
What is the SMILES notation for (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
The canonical SMILES for (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine is CC(C)[C@H](N(C)[C@@H](C)CCC(C)(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
The InChIKey is DVZNYVYTGRRYHE-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H28F3N/c1-10(2)12(14(15,16)17)18(7)11(3)8-9-13(4,5)6/h10-12H,8-9H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine?
(2S)-N,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 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine is sourced from PubChem (CID 162459725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).