(2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine

C16H30F3N — CID 163840784

IUPAC(2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine
SMILESC=C(CCCC[C@@](C)([C@H](C)N)[C@@H](C)CCC)C(F)(F)F
InChIInChI=1S/C16H30F3N/c1-6-9-12(2)15(5,14(4)20)11-8-7-10-13(3)16(17,18)19/h12,14H,3,6-11,20H2,1-2,4-5H3/t12-,14-,15+/m0/s1
InChIKeyOLUHXSLTGBBTMA-AEGPPILISA-N
MW293.42 g/mol
LogP5.45
Rot. Bonds9

About (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine

(2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine (PubChem CID 163840784) has the molecular formula C16H30F3N and a molecular weight of 293.42 g/mol. Its IUPAC name is (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine
PubChem CID163840784
Molecular FormulaC16H30F3N
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name(2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine
SMILESC=C(CCCC[C@@](C)([C@H](C)N)[C@@H](C)CCC)C(F)(F)F
InChIInChI=1S/C16H30F3N/c1-6-9-12(2)15(5,14(4)20)11-8-7-10-13(3)16(17,18)19/h12,14H,3,6-11,20H2,1-2,4-5H3/t12-,14-,15+/m0/s1
InChIKeyOLUHXSLTGBBTMA-AEGPPILISA-N
XLogP5.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,10-dimethyl-11-methylidene-10-octylnonadecane
CID 10916798
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
hexan-2-yl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate
CID 141185474
4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol
CID 132603530
6,6-difluorooctadecan-2-amine
CID 174731685
(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine
CID 155485567
2-methyl-3-methylidenehenicosan-2-amine
CID 118467610
4,5,5-trimethyldodecane
CID 123360574
2,3-dimethylhexan-2-amine;hexanoic acid
CID 173175162
4,5,5-trimethylundecan-6-one
CID 173241130
3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine
CID 130574590
6-fluoro-2,6-dimethylundecane
CID 155274662

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine?
The IUPAC name of (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine (CID 163840784) is (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine.
What is the SMILES notation for (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine?
The canonical SMILES for (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine is C=C(CCCC[C@@](C)([C@H](C)N)[C@@H](C)CCC)C(F)(F)F.
What is the InChIKey of (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine?
The InChIKey is OLUHXSLTGBBTMA-AEGPPILISA-N. The full InChI is InChI=1S/C16H30F3N/c1-6-9-12(2)15(5,14(4)20)11-8-7-10-13(3)16(17,18)19/h12,14H,3,6-11,20H2,1-2,4-5H3/t12-,14-,15+/m0/s1.
What are the key properties of (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine?
(2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine has a molecular weight of 293.42 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine is sourced from PubChem (CID 163840784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).