4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)

C14H26F3NSU — CID 163971972

IUPAC4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)
SMILESC/C=[C-]/C(CCCN)[C@@H](C)CSC.C[CH-]C(F)(F)F.[U+2]
InChIInChI=1S/C11H22NS.C3H4F3.U/c1-4-6-11(7-5-8-12)10(2)9-13-3;1-2-3(4,5)6;/h4,10-11H,5,7-9,12H2,1-3H3;2H,1H3;/q2*-1;+2/t10-,11?;;/m0../s1
InChIKeyLNNJEPJXOYGLTJ-KXQUXSGXSA-N
MW535.46 g/mol
LogP4.49
Rot. Bonds7

About 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)

4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+) (PubChem CID 163971972) has the molecular formula C14H26F3NSU and a molecular weight of 535.46 g/mol. Its IUPAC name is 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+).

Molecular Properties

Compound Name4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)
PubChem CID163971972
Molecular FormulaC14H26F3NSU
Molecular Weight535.46 g/mol
Exact Mass535.22
IUPAC Name4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)
SMILESC/C=[C-]/C(CCCN)[C@@H](C)CSC.C[CH-]C(F)(F)F.[U+2]
InChIInChI=1S/C11H22NS.C3H4F3.U/c1-4-6-11(7-5-8-12)10(2)9-13-3;1-2-3(4,5)6;/h4,10-11H,5,7-9,12H2,1-3H3;2H,1H3;/q2*-1;+2/t10-,11?;;/m0../s1
InChIKeyLNNJEPJXOYGLTJ-KXQUXSGXSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+) with MolForge

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Launch Full Analysis

Related Compounds

4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine
CID 163971973
3-(2,5-Dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine
CID 170868150

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)?
The IUPAC name of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+) (CID 163971972) is 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+).
What is the SMILES notation for 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)?
The canonical SMILES for 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+) is C/C=[C-]/C(CCCN)[C@@H](C)CSC.C[CH-]C(F)(F)F.[U+2].
What is the InChIKey of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)?
The InChIKey is LNNJEPJXOYGLTJ-KXQUXSGXSA-N. The full InChI is InChI=1S/C11H22NS.C3H4F3.U/c1-4-6-11(7-5-8-12)10(2)9-13-3;1-2-3(4,5)6;/h4,10-11H,5,7-9,12H2,1-3H3;2H,1H3;/q2*-1;+2/t10-,11?;;/m0../s1.
What are the key properties of 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)?
4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+) has a molecular weight of 535.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+) is sourced from PubChem (CID 163971972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).