(2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine

C12H22F3N — CID 162569961

IUPAC(2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
SMILESC=C[C@](C)(CCCC)CN[C@@H](C)C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-5-7-8-11(4,6-2)9-16-10(3)12(13,14)15/h6,10,16H,2,5,7-9H2,1,3-4H3/t10-,11+/m0/s1
InChIKeyLNHQMWJGUYDIMV-WDEREUQCSA-N
MW237.31 g/mol
LogP3.91
Rot. Bonds7

About (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine

(2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine (PubChem CID 162569961) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine.

Molecular Properties

Compound Name(2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
PubChem CID162569961
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name(2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
SMILESC=C[C@](C)(CCCC)CN[C@@H](C)C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-5-7-8-11(4,6-2)9-16-10(3)12(13,14)15/h6,10,16H,2,5,7-9H2,1,3-4H3/t10-,11+/m0/s1
InChIKeyLNHQMWJGUYDIMV-WDEREUQCSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The IUPAC name of (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine (CID 162569961) is (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine.
What is the SMILES notation for (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The canonical SMILES for (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine is C=C[C@](C)(CCCC)CN[C@@H](C)C(F)(F)F.
What is the InChIKey of (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The InChIKey is LNHQMWJGUYDIMV-WDEREUQCSA-N. The full InChI is InChI=1S/C12H22F3N/c1-5-7-8-11(4,6-2)9-16-10(3)12(13,14)15/h6,10,16H,2,5,7-9H2,1,3-4H3/t10-,11+/m0/s1.
What are the key properties of (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
(2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine is sourced from PubChem (CID 162569961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).